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

Systemtic Name: ethyl 4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-1,6-dimethyl-2-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 4-[4-(4-fluorobenzoyl)piperazin-1-yl]-1,6-dimethyl-2-oxo-quinoline-3-carboxylate CAS Name: 4-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-1,6-dimethyl-2-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-fluorobenzoyl)piperazin-1-yl]-1,6-dimethyl-2-oxoquinoline-3-carboxylate Traditional Name: 4-[4-(4-fluorobenzoyl)piperazino]-2-keto-1,6-dimethyl-quinoline-3-carboxylic acid ethyl ester Formula: C25H26FN3O4 MolecularWeight: 451.490043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26FN3O4/c1-4-33-25(32)21-22(19-15-16(2)5-10-20(19)27(3)24(21)31)28-11-13-29(14-12-28)23(30)17-6-8-18(26)9-7-17/h5-10,15H,4,11-14H2,1-3H3