N-[2-(4-chlorophenyl)ethyl]-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-1-(o-anisidino)isoquinoline-4-carboxamide Formula: C25H22ClN3O2 MolecularWeight: 431.91408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC=C(C3=CC=CC=C32)C(=O)NCCC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1NC2=NC=C(C3=CC=CC=C32)C(=O)NCCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClN3O2/c1-31-23-9-5-4-8-22(23)29-24-20-7-3-2-6-19(20)21(16-28-24)25(30)27-15-14-17-10-12-18(26)13-11-17/h2-13,16H,14-15H2,1H3,(H,27,30)(H,28,29)