92H

~{N}-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-3-yl]methyl]-~{N}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide

Created:	2017-04-07
Last modified:	2018-03-14

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Chemical Details
Formal Charge	0
Atom Count	71
Chiral Atom Count	1
Bond Count	75
Aromatic Bond Count	17

2D diagram of 92H

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Chemical Component Summary
Name	~{N}-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-3-yl]methyl]-~{N}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-3-yl]methyl]-~{N}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
Formula	C₃₀ H₃₇ N₃ O
Molecular Weight	455.634
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(C)CCN(C[CH]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4
SMILES	OpenEye OEToolkits	2.0.6	CN(C)CCN(CC1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4
Canonical SMILES	CACTVS	3.385	CN(C)CCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4
Canonical SMILES	OpenEye OEToolkits	2.0.6	CN(C)CCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4
InChI	InChI	1.03	InChI=1S/C30H37N3O/c1-31(2)16-17-33(30(34)28-14-13-24-9-3-4-10-25(24)18-28)22-23-8-7-15-32(21-23)29-19-26-11-5-6-12-27(26)20-29/h3-6,9-14,18,23,29H,7-8,15-17,19-22H2,1-2H3/t23-/m1/s1
InChIKey	InChI	1.03	OFDHKZMZEXORRX-HSZRJFAPSA-N

Related Resource References

Resource Name	Reference
PubChem	132471735

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