6,7-dimethoxy-2-methyl-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6,7-dimethoxy-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)-6,7-dimethoxy-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one CAS Name: 6,7-dimethoxy-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)-6,7-dimethoxy-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-benzylpiperazine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-(2-thienyl)-3,4-dihydroisocarbostyril Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O4S/c1-29-26(24-10-7-15-36-24)25(20-16-22(34-2)23(35-3)17-21(20)27(29)32)28(33)31-13-11-30(12-14-31)18-19-8-5-4-6-9-19/h4-10,15-17,25-26H,11-14,18H2,1-3H3