1-cyclopropyl-6-fluoranyl-8-methyl-7-[3-[methyl-(phenylmethyl)amino]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methyl-7-[3-[methyl-(phenylmethyl)amino]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-methyl-7-[3-[methyl-(phenylmethyl)amino]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[benzyl(methyl)amino]pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C26H28FN3O3 MolecularWeight: 449.517223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCC(C3)N(C)CC4=CC=CC=C4)F)C(=O)C(=CN2C5CC5)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCC(C3)N(C)CC4=CC=CC=C4)F)C(=O)C(=CN2C5CC5)C(=O)O

InChI

InChI=1S/C26H28FN3O3/c1-16-23-20(25(31)21(26(32)33)15-30(23)18-8-9-18)12-22(27)24(16)29-11-10-19(14-29)28(2)13-17-6-4-3-5-7-17/h3-7,12,15,18-19H,8-11,13-14H2,1-2H3,(H,32,33)