(6-fluoranyl-2-thiophen-2-yl-quinolin-4-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (6-fluoranyl-2-thiophen-2-yl-quinolin-4-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[6-fluoro-2-(2-thienyl)-4-quinolyl]methanone CAS Name: (6-fluoro-2-thiophen-2-yl-4-quinolinyl)-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone Traditional Name: (4-benzylpiperazino)-[6-fluoro-2-(2-thienyl)-4-quinolyl]methanone Formula: C25H22FN3OS MolecularWeight: 431.525083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=C3C=C(C=C4)F)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=C3C=C(C=C4)F)C5=CC=CS5

InChI

InChI=1S/C25H22FN3OS/c26-19-8-9-22-20(15-19)21(16-23(27-22)24-7-4-14-31-24)25(30)29-12-10-28(11-13-29)17-18-5-2-1-3-6-18/h1-9,14-16H,10-13,17H2