6,7-dimethoxy-2-methyl-4-(4-phenylpiperazin-1-yl)carbonyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6,7-dimethoxy-2-methyl-4-(4-phenylpiperazin-1-yl)carbonyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 6,7-dimethoxy-2-methyl-4-(4-phenylpiperazine-1-carbonyl)-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one CAS Name: 6,7-dimethoxy-2-methyl-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: 6,7-dimethoxy-2-methyl-4-(4-phenylpiperazine-1-carbonyl)-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 6,7-dimethoxy-2-methyl-4-(4-phenylpiperazine-1-carbonyl)-3-(2-thienyl)-3,4-dihydroisocarbostyril Formula: C27H29N3O4S MolecularWeight: 491.60186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4S/c1-28-25(23-10-7-15-35-23)24(19-16-21(33-2)22(34-3)17-20(19)26(28)31)27(32)30-13-11-29(12-14-30)18-8-5-4-6-9-18/h4-10,15-17,24-25H,11-14H2,1-3H3