2-methyl-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-methyl-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-benzylpiperazine-1-carbonyl)-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-methyl-4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-benzylpiperazine-1-carbonyl)-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-benzylpiperazine-1-carbonyl)-2-methyl-3-(2-thienyl)-3,4-dihydroisocarbostyril Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C26H27N3O2S/c1-27-24(22-12-7-17-32-22)23(20-10-5-6-11-21(20)25(27)30)26(31)29-15-13-28(14-16-29)18-19-8-3-2-4-9-19/h2-12,17,23-24H,13-16,18H2,1H3