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

Systemtic Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-(2-thienyl)-3,4-dihydroisocarbostyril Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3S/c1-27-24(22-8-5-17-33-22)23(20-6-3-4-7-21(20)25(27)30)26(31)29-15-13-28(14-16-29)18-9-11-19(32-2)12-10-18/h3-12,17,23-24H,13-16H2,1-2H3