1-cyclopropyl-6-fluoranyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-5-[(phenylmethyl)amino]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-5-[(phenylmethyl)amino]quinoline-3-carboxylic acid Openeye Name: 5-(benzylamino)-1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-(3-methyl-1-piperazinyl)-4-oxo-5-[(phenylmethyl)amino]-3-quinolinecarboxylic acid IUPAC Name: 5-(benzylamino)-1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-(benzylamino)-1-cyclopropyl-6-fluoro-4-keto-7-(3-methylpiperazino)quinoline-3-carboxylic acid Formula: C25H27FN4O3 MolecularWeight: 450.505283

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)NCC5=CC=CC=C5)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)NCC5=CC=CC=C5)F

InChI

InChI=1S/C25H27FN4O3/c1-15-13-29(10-9-27-15)20-11-19-21(23(22(20)26)28-12-16-5-3-2-4-6-16)24(31)18(25(32)33)14-30(19)17-7-8-17/h2-6,11,14-15,17,27-28H,7-10,12-13H2,1H3,(H,32,33)