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

Systemtic Name: 2-methyl-4-(4-phenylpiperazin-1-yl)carbonyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-methyl-4-(4-phenylpiperazine-1-carbonyl)-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-methyl-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-methyl-4-(4-phenylpiperazine-1-carbonyl)-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 2-methyl-4-(4-phenylpiperazine-1-carbonyl)-3-(2-thienyl)-3,4-dihydroisocarbostyril Formula: C25H25N3O2S MolecularWeight: 431.5499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2S/c1-26-23(21-12-7-17-31-21)22(19-10-5-6-11-20(19)24(26)29)25(30)28-15-13-27(14-16-28)18-8-3-2-4-9-18/h2-12,17,22-23H,13-16H2,1H3