ethyl 1-(2-dimethylaminoethyl)-4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-(2-dimethylaminoethyl)-4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-(2-dimethylaminoethyl)-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxo-quinoline-3-carboxylate CAS Name: 1-(2-dimethylaminoethyl)-4-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-dimethylaminoethyl)-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate Traditional Name: 1-(2-dimethylaminoethyl)-4-[4-(4-fluorobenzoyl)piperazino]-2-keto-quinoline-3-carboxylic acid ethyl ester Formula: C27H31FN4O4 MolecularWeight: 494.557843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)CCN(C)C)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)CCN(C)C)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H31FN4O4/c1-4-36-27(35)23-24(21-7-5-6-8-22(21)32(26(23)34)18-13-29(2)3)30-14-16-31(17-15-30)25(33)19-9-11-20(28)12-10-19/h5-12H,4,13-18H2,1-3H3