7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(1,3-thiazol-4-ylmethyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(1,3-thiazol-4-ylmethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(thiazol-4-ylmethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 7-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-(4-thiazolylmethyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(1,3-thiazol-4-ylmethyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 7-[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(C(=O)C2=C1C=CC(=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)CC6=CSC=N6

Isomeric SMILES

C1CN(C(=O)C2=C1C=CC(=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)CC6=CSC=N6

InChI

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