ethyl 1-cyclopropyl-6-fluoranyl-8-methyl-7-[3-methyl-4-(phenylmethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-6-fluoranyl-8-methyl-7-[3-methyl-4-(phenylmethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-(4-benzyl-3-methyl-piperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-8-methyl-7-[3-methyl-4-(phenylmethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-benzyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylate Traditional Name: 7-(4-benzyl-3-methyl-piperazino)-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C28H32FN3O3 MolecularWeight: 477.570383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCN(C(C3)C)CC4=CC=CC=C4)C)C5CC5

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCN(C(C3)C)CC4=CC=CC=C4)C)C5CC5

InChI

InChI=1S/C28H32FN3O3/c1-4-35-28(34)23-17-32(21-10-11-21)25-19(3)26(24(29)14-22(25)27(23)33)31-13-12-30(18(2)15-31)16-20-8-6-5-7-9-20/h5-9,14,17-18,21H,4,10-13,15-16H2,1-3H3