2-[(4-azanylcyclohexyl)amino]-4-[(3,4,5-trimethoxyphenyl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(4-azanylcyclohexyl)amino]-4-[(3,4,5-trimethoxyphenyl)methyl]benzenecarbonitrile Openeye Name: 2-[(4-aminocyclohexyl)amino]-4-[(3,4,5-trimethoxyphenyl)methyl]benzonitrile CAS Name: 2-[(4-aminocyclohexyl)amino]-4-[(3,4,5-trimethoxyphenyl)methyl]benzonitrile IUPAC Name: 2-[(4-aminocyclohexyl)amino]-4-[(3,4,5-trimethoxyphenyl)methyl]benzonitrile Traditional Name: 2-[(4-aminocyclohexyl)amino]-4-(3,4,5-trimethoxybenzyl)benzonitrile Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=CC(=C(C=C2)C#N)NC3CCC(CC3)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CC(=C(C=C2)C#N)NC3CCC(CC3)N

InChI

InChI=1S/C23H29N3O3/c1-27-21-12-16(13-22(28-2)23(21)29-3)10-15-4-5-17(14-24)20(11-15)26-19-8-6-18(25)7-9-19/h4-5,11-13,18-19,26H,6-10,25H2,1-3H3