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

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]isoquinoline-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-anilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]isoquinoline-4-carboxamide CAS Name: 1-(3-chloro-4-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-isoquinolinecarboxamide IUPAC Name: 1-(3-chloro-4-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]isoquinoline-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-anilino)-N-homoveratryl-isoquinoline-4-carboxamide Formula: C27H26ClN3O3 MolecularWeight: 475.96664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NCCC4=CC(=C(C=C4)OC)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NCCC4=CC(=C(C=C4)OC)OC)Cl

InChI

InChI=1S/C27H26ClN3O3/c1-17-8-10-19(15-23(17)28)31-26-21-7-5-4-6-20(21)22(16-30-26)27(32)29-13-12-18-9-11-24(33-2)25(14-18)34-3/h4-11,14-16H,12-13H2,1-3H3,(H,29,32)(H,30,31)