N-butyl-2-(4-methoxyphenyl)-3-oxidanylidene-1H-isoindole-4-carboxamide

Systemtic Name: N-butyl-2-(4-methoxyphenyl)-3-oxidanylidene-1H-isoindole-4-carboxamide Openeye Name: N-butyl-2-(4-methoxyphenyl)-3-oxo-isoindoline-4-carboxamide CAS Name: N-butyl-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide IUPAC Name: N-butyl-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide Traditional Name: N-butyl-3-keto-2-(4-methoxyphenyl)isoindoline-4-carboxamide Formula: C20H22N2O3 MolecularWeight: 338.40028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C2C(=CC=C1)CN(C2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCNC(=O)C1=C2C(=CC=C1)CN(C2=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22N2O3/c1-3-4-12-21-19(23)17-7-5-6-14-13-22(20(24)18(14)17)15-8-10-16(25-2)11-9-15/h5-11H,3-4,12-13H2,1-2H3,(H,21,23)