1-[(3-chloranyl-4-methyl-phenyl)amino]-N-(2,3-dimethylcyclohexyl)isoquinoline-4-carboxamide

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)amino]-N-(2,3-dimethylcyclohexyl)isoquinoline-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-anilino)-N-(2,3-dimethylcyclohexyl)isoquinoline-4-carboxamide CAS Name: 1-(3-chloro-4-methylanilino)-N-(2,3-dimethylcyclohexyl)-4-isoquinolinecarboxamide IUPAC Name: 1-(3-chloro-4-methylanilino)-N-(2,3-dimethylcyclohexyl)isoquinoline-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-anilino)-N-(2,3-dimethylcyclohexyl)isoquinoline-4-carboxamide Formula: C25H28ClN3O MolecularWeight: 421.96232

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C25H28ClN3O/c1-15-7-6-10-23(17(15)3)29-25(30)21-14-27-24(20-9-5-4-8-19(20)21)28-18-12-11-16(2)22(26)13-18/h4-5,8-9,11-15,17,23H,6-7,10H2,1-3H3,(H,27,28)(H,29,30)