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

Systemtic Name: ethyl 1-cyclopropyl-6-fluoranyl-5,8-dimethyl-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-5,8-dimethyl-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-5,8-dimethyl-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-5,8-dimethyl-4-oxoquinoline-3-carboxylate Traditional Name: 7-(4-benzyl-3-methyl-piperazino)-1-cyclopropyl-6-fluoro-4-keto-5,8-dimethyl-quinoline-3-carboxylic acid ethyl ester Formula: C29H34FN3O3 MolecularWeight: 491.596963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34FN3O3/c1-5-36-29(35)23-17-33(22-11-12-22)26-20(4)27(25(30)19(3)24(26)28(23)34)32-14-13-31(18(2)15-32)16-21-9-7-6-8-10-21/h6-10,17-18,22H,5,11-16H2,1-4H3