N-(2,3-dimethylcyclohexyl)-1-[(4-methoxyphenyl)amino]isoquinoline-4-carboxamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-1-[(4-methoxyphenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-(2,3-dimethylcyclohexyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide CAS Name: N-(2,3-dimethylcyclohexyl)-1-(4-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: N-(2,3-dimethylcyclohexyl)-1-(p-anisidino)isoquinoline-4-carboxamide Formula: C25H29N3O2 MolecularWeight: 403.51666

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O2/c1-16-7-6-10-23(17(16)2)28-25(29)22-15-26-24(21-9-5-4-8-20(21)22)27-18-11-13-19(30-3)14-12-18/h4-5,8-9,11-17,23H,6-7,10H2,1-3H3,(H,26,27)(H,28,29)