7-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]-1-cyclopropyl-6-fluoranyl-N-(2-methylpropyl)-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: 7-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]-1-cyclopropyl-6-fluoranyl-N-(2-methylpropyl)-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 7-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-N-isobutyl-4-oxo-quinoline-3-carboxamide CAS Name: 7-[4-[(3-chlorophenyl)-oxomethyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-N-(2-methylpropyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: 7-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide Traditional Name: 7-[4-(3-chlorobenzoyl)piperazino]-1-cyclopropyl-6-fluoro-N-isobutyl-4-keto-quinoline-3-carboxamide Formula: C28H30ClFN4O3 MolecularWeight: 525.014203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30ClFN4O3/c1-17(2)15-31-27(36)22-16-34(20-6-7-20)24-14-25(23(30)13-21(24)26(22)35)32-8-10-33(11-9-32)28(37)18-4-3-5-19(29)12-18/h3-5,12-14,16-17,20H,6-11,15H2,1-2H3,(H,31,36)