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

Systemtic Name: 7-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide Openeye Name: 7-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-N-(4-pyridylmethyl)quinoline-3-carboxamide CAS Name: 7-[4-[(3-chlorophenyl)-oxomethyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-N-(pyridin-4-ylmethyl)-3-quinolinecarboxamide IUPAC Name: 7-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide Traditional Name: 7-[4-(3-chlorobenzoyl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-N-(4-pyridylmethyl)quinoline-3-carboxamide Formula: C30H27ClFN5O3 MolecularWeight: 560.018483

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)C5=CC(=CC=C5)Cl)F)C(=O)NCC6=CC=NC=C6

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)C5=CC(=CC=C5)Cl)F)C(=O)NCC6=CC=NC=C6

InChI

InChI=1S/C30H27ClFN5O3/c31-21-3-1-2-20(14-21)30(40)36-12-10-35(11-13-36)27-16-26-23(15-25(27)32)28(38)24(18-37(26)22-4-5-22)29(39)34-17-19-6-8-33-9-7-19/h1-3,6-9,14-16,18,22H,4-5,10-13,17H2,(H,34,39)