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

Systemtic Name: N-(2,3-dimethylcyclohexyl)-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-(2,3-dimethylcyclohexyl)-1-(2-methoxyanilino)isoquinoline-4-carboxamide CAS Name: N-(2,3-dimethylcyclohexyl)-1-(2-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-1-(2-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: N-(2,3-dimethylcyclohexyl)-1-(o-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=CC=C4OC

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC=CC=C4OC

InChI

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