3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(1,3-thiazol-4-ylmethyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(1,3-thiazol-4-ylmethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(thiazol-4-ylmethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-(4-thiazolylmethyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(1,3-thiazol-4-ylmethyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 3-[4-(3,3-diphenylpropyl)piperazino]-2-(thiazol-4-ylmethyl)-3,4-dihydroisocarbostyril Formula: C32H34N4OS MolecularWeight: 522.70356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4CC5=CC=CC=C5C(=O)N4CC6=CSC=N6

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4CC5=CC=CC=C5C(=O)N4CC6=CSC=N6

InChI

InChI=1S/C32H34N4OS/c37-32-30-14-8-7-13-27(30)21-31(36(32)22-28-23-38-24-33-28)35-19-17-34(18-20-35)16-15-29(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-14,23-24,29,31H,15-22H2