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

Systemtic Name: ethyl 6-chloranyl-4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 1-benzyl-6-chloro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxo-quinoline-3-carboxylate CAS Name: 6-chloro-4-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-oxo-1-(phenylmethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-chloro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate Traditional Name: 1-benzyl-6-chloro-4-[4-(4-fluorobenzoyl)piperazino]-2-keto-quinoline-3-carboxylic acid ethyl ester Formula: C30H27ClFN3O4 MolecularWeight: 548.004483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)N(C1=O)CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)N(C1=O)CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H27ClFN3O4/c1-2-39-30(38)26-27(33-14-16-34(17-15-33)28(36)21-8-11-23(32)12-9-21)24-18-22(31)10-13-25(24)35(29(26)37)19-20-6-4-3-5-7-20/h3-13,18H,2,14-17,19H2,1H3