5-azanyl-1-cyclopropyl-7-[3,5-dimethyl-4-(2-pyridin-4-ylcarbonyliminopropyl)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-7-[3,5-dimethyl-4-(2-pyridin-4-ylcarbonyliminopropyl)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-7-[3,5-dimethyl-4-[2-(pyridine-4-carbonylimino)propyl]piperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-7-[3,5-dimethyl-4-[2-[oxo(pyridin-4-yl)methyl]iminopropyl]-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-7-[3,5-dimethyl-4-[2-(pyridine-4-carbonylimino)propyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6-fluoro-7-[4-(2-isonicotinoyliminopropyl)-3,5-dimethyl-piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C28H31FN6O4 MolecularWeight: 534.581943

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1CC(=NC(=O)C2=CC=NC=C2)C)C)C3=C(C(=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)N)F

Isomeric SMILES

CC1CN(CC(N1CC(=NC(=O)C2=CC=NC=C2)C)C)C3=C(C(=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)N)F

InChI

InChI=1S/C28H31FN6O4/c1-15(32-27(37)18-6-8-31-9-7-18)11-34-16(2)12-33(13-17(34)3)22-10-21-23(25(30)24(22)29)26(36)20(28(38)39)14-35(21)19-4-5-19/h6-10,14,16-17,19H,4-5,11-13,30H2,1-3H3,(H,38,39)