ethyl 1-cyclopropyl-6-fluoranyl-5,8-dimethyl-4-oxidanylidene-7-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-6-fluoranyl-5,8-dimethyl-4-oxidanylidene-7-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylate Openeye Name: ethyl 7-(4-benzylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-5,8-dimethyl-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-5,8-dimethyl-4-oxo-7-[4-(phenylmethyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-benzylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-5,8-dimethyl-4-oxoquinoline-3-carboxylate Traditional Name: 7-(4-benzylpiperazino)-1-cyclopropyl-6-fluoro-4-keto-5,8-dimethyl-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)C)F)N3CCN(CC3)CC4=CC=CC=C4)C)C5CC5

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C(=C2C1=O)C)F)N3CCN(CC3)CC4=CC=CC=C4)C)C5CC5

InChI

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