5NN

5-AMINO-3-PHENYL-1,2-DIHYDROISOQUINOLIN-1-ONE

Created:	2014-08-08
Last modified:	2015-07-29

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1 entries where 5NN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	12

2D diagram of 5NN

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Chemical Component Summary
Name	5-AMINO-3-PHENYL-1,2-DIHYDROISOQUINOLIN-1-ONE
Systematic Name (OpenEye OEToolkits)	5-azanyl-3-phenyl-2H-isoquinolin-1-one
Formula	C₁₅ H₁₂ N₂ O
Molecular Weight	236.269
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2c3cccc(c3C=C(c1ccccc1)N2)N
SMILES	CACTVS	3.385	Nc1cccc2C(=O)NC(=Cc12)c3ccccc3
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2
Canonical SMILES	CACTVS	3.385	Nc1cccc2C(=O)NC(=Cc12)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2
InChI	InChI	1.03	InChI=1S/C15H12N2O/c16-13-8-4-7-11-12(13)9-14(17-15(11)18)10-5-2-1-3-6-10/h1-9H,16H2,(H,17,18)
InChIKey	InChI	1.03	RGSDXZQBZQATQJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71769164
ChEMBL	CHEMBL2414043

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