1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[[4-(piperazin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[[4-(piperazin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[[4-(piperazin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[[4-(1-piperazinylmethyl)phenyl]methyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[[4-(piperazin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-[4-(piperazinomethyl)benzyl]piperazino]quinoline-3-carboxylic acid Formula: C29H34FN5O3 MolecularWeight: 519.610363

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC5=CC=C(C=C5)CN6CCNCC6)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC5=CC=C(C=C5)CN6CCNCC6)F)C(=O)O

InChI

InChI=1S/C29H34FN5O3/c30-25-15-23-26(35(22-5-6-22)19-24(28(23)36)29(37)38)16-27(25)34-13-11-33(12-14-34)18-21-3-1-20(2-4-21)17-32-9-7-31-8-10-32/h1-4,15-16,19,22,31H,5-14,17-18H2,(H,37,38)