[4-(phenylmethyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone hydrochloride

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone hydrochloride Openeye Name: (4-benzylpiperazin-1-yl)-[2-(2-thienyl)-4-quinolyl]methanone hydrochloride CAS Name: [4-(phenylmethyl)-1-piperazinyl]-(2-thiophen-2-yl-4-quinolinyl)methanone hydrochloride IUPAC Name: (4-benzylpiperazin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone hydrochloride Traditional Name: (4-benzylpiperazino)-[2-(2-thienyl)-4-quinolyl]methanone hydrochloride Formula: C25H24ClN3OS MolecularWeight: 449.99556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5.Cl

InChI

InChI=1S/C25H23N3OS.ClH/c29-25(28-14-12-27(13-15-28)18-19-7-2-1-3-8-19)21-17-23(24-11-6-16-30-24)26-22-10-5-4-9-20(21)22;/h1-11,16-17H,12-15,18H2;1H