7-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]-1-cyclopropyl-6-fluoranyl-N-octyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: 7-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]-1-cyclopropyl-6-fluoranyl-N-octyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 7-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-N-octyl-4-oxo-quinoline-3-carboxamide CAS Name: 7-[4-[(3-chlorophenyl)-oxomethyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-N-octyl-4-oxo-3-quinolinecarboxamide IUPAC Name: 7-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-N-octyl-4-oxoquinoline-3-carboxamide Traditional Name: 7-[4-(3-chlorobenzoyl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-N-octyl-quinoline-3-carboxamide Formula: C32H38ClFN4O3 MolecularWeight: 581.120523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C(=O)C4=CC(=CC=C4)Cl)C5CC5

Isomeric SMILES

CCCCCCCCNC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C(=O)C4=CC(=CC=C4)Cl)C5CC5

InChI

InChI=1S/C32H38ClFN4O3/c1-2-3-4-5-6-7-13-35-31(40)26-21-38(24-11-12-24)28-20-29(27(34)19-25(28)30(26)39)36-14-16-37(17-15-36)32(41)22-9-8-10-23(33)18-22/h8-10,18-21,24H,2-7,11-17H2,1H3,(H,35,40)