9OL

5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine

Created:	2018-06-14
Last modified:	2018-10-03

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1 entries where 9OL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	0
Bond Count	54
Aromatic Bond Count	12

2D diagram of 9OL

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Chemical Component Summary
Name	5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine
Systematic Name (OpenEye OEToolkits)	5,5-dimethyl-8-(1-piperidin-4-ylethenyl)-6~{H}-benzo[h]quinazolin-4-amine
Formula	C₂₁ H₂₆ N₄
Molecular Weight	334.458
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c14c(ccc(c1)/C(=C)C2CCNCC2)c3c(c(ncn3)N)C(C4)(C)C
SMILES	CACTVS	3.385	CC1(C)Cc2cc(ccc2c3ncnc(N)c13)C(=C)C4CCNCC4
SMILES	OpenEye OEToolkits	2.0.6	CC1(Cc2cc(ccc2-c3c1c(ncn3)N)C(=C)C4CCNCC4)C
Canonical SMILES	CACTVS	3.385	CC1(C)Cc2cc(ccc2c3ncnc(N)c13)C(=C)C4CCNCC4
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC1(Cc2cc(ccc2-c3c1c(ncn3)N)C(=C)C4CCNCC4)C
InChI	InChI	1.03	InChI=1S/C21H26N4/c1-13(14-6-8-23-9-7-14)15-4-5-17-16(10-15)11-21(2,3)18-19(17)24-12-25-20(18)22/h4-5,10,12,14,23H,1,6-9,11H2,2-3H3,(H2,22,24,25)
InChIKey	InChI	1.03	CFHXHGOVQUZDEY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	134817499

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