ethyl 6-chloranyl-1-(2-dimethylaminoethyl)-4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-1-(2-dimethylaminoethyl)-4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-1-(2-dimethylaminoethyl)-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxo-quinoline-3-carboxylate CAS Name: 6-chloro-1-(2-dimethylaminoethyl)-4-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-1-(2-dimethylaminoethyl)-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate Traditional Name: 6-chloro-1-(2-dimethylaminoethyl)-4-[4-(4-fluorobenzoyl)piperazino]-2-keto-quinoline-3-carboxylic acid ethyl ester Formula: C27H30ClFN4O4 MolecularWeight: 529.002903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClFN4O4/c1-4-37-27(36)23-24(21-17-19(28)7-10-22(21)33(26(23)35)16-11-30(2)3)31-12-14-32(15-13-31)25(34)18-5-8-20(29)9-6-18/h5-10,17H,4,11-16H2,1-3H3