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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: N-homoveratryl-1-(o-anisidino)isoquinoline-4-carboxamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC=CC=C4OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC=CC=C4OC)OC

InChI

InChI=1S/C27H27N3O4/c1-32-23-11-7-6-10-22(23)30-26-20-9-5-4-8-19(20)21(17-29-26)27(31)28-15-14-18-12-13-24(33-2)25(16-18)34-3/h4-13,16-17H,14-15H2,1-3H3,(H,28,31)(H,29,30)