N-butyl-2-(4-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-butyl-2-(4-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-butyl-2-(4-methoxyphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-butyl-2-(4-methoxyphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-butyl-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-butyl-1-keto-2-(4-methoxyphenyl)isoquinoline-4-carboxamide Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCNC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N2O3/c1-3-4-13-22-20(24)19-14-23(15-9-11-16(26-2)12-10-15)21(25)18-8-6-5-7-17(18)19/h5-12,14H,3-4,13H2,1-2H3,(H,22,24)