2-butyl-3-(3-chlorophenyl)-N-(1-methylpiperidin-4-yl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 2-butyl-3-(3-chlorophenyl)-N-(1-methylpiperidin-4-yl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-butyl-3-(3-chlorophenyl)-N-(1-methyl-4-piperidyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-butyl-3-(3-chlorophenyl)-N-(1-methyl-4-piperidinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-butyl-3-(3-chlorophenyl)-N-(1-methylpiperidin-4-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 2-butyl-3-(3-chlorophenyl)-1-keto-N-(1-methyl-4-piperidyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C26H32ClN3O2 MolecularWeight: 454.00418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3CCN(CC3)C)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3CCN(CC3)C)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H32ClN3O2/c1-3-4-14-30-24(18-8-7-9-19(27)17-18)23(21-10-5-6-11-22(21)26(30)32)25(31)28-20-12-15-29(2)16-13-20/h5-11,17,20,23-24H,3-4,12-16H2,1-2H3,(H,28,31)