N-[(2-chlorophenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-methyl-4-(o-tolyl)-1-oxo-isoquinoline-3-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxo-3-isoquinolinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide Traditional Name: N-(2-chlorobenzyl)-1-keto-2-methyl-4-(o-tolyl)isoquinoline-3-carboxamide Formula: C25H21ClN2O2 MolecularWeight: 416.89944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)NCC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C25H21ClN2O2/c1-16-9-3-5-11-18(16)22-19-12-6-7-13-20(19)25(30)28(2)23(22)24(29)27-15-17-10-4-8-14-21(17)26/h3-14H,15H2,1-2H3,(H,27,29)