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

Systemtic Name: 2-methyl-4-(4-propylpiperazin-1-yl)carbonyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-methyl-4-(4-propylpiperazine-1-carbonyl)-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-methyl-4-[oxo-(4-propyl-1-piperazinyl)methyl]-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-methyl-4-(4-propylpiperazine-1-carbonyl)-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 2-methyl-4-(4-propylpiperazine-1-carbonyl)-3-(2-thienyl)-3,4-dihydroisocarbostyril Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=CS4

Isomeric SMILES

CCCN1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=CS4

InChI

InChI=1S/C22H27N3O2S/c1-3-10-24-11-13-25(14-12-24)22(27)19-16-7-4-5-8-17(16)21(26)23(2)20(19)18-9-6-15-28-18/h4-9,15,19-20H,3,10-14H2,1-2H3