ethyl 4-[6-chloranyl-2-oxidanylidene-4-phenyl-1-(phenylmethyl)quinolin-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-chloranyl-2-oxidanylidene-4-phenyl-1-(phenylmethyl)quinolin-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-(1-benzyl-6-chloro-2-oxo-4-phenyl-3-quinolyl)piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-oxo-4-phenyl-1-(phenylmethyl)-3-quinolinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-benzyl-6-chloro-2-oxo-4-phenylquinolin-3-yl)piperazine-1-carboxylate Traditional Name: 4-(1-benzyl-6-chloro-2-keto-4-phenyl-3-quinolyl)piperazine-1-carboxylic acid ethyl ester Formula: C29H28ClN3O3 MolecularWeight: 502.00392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C3=C(C=CC(=C3)Cl)N(C2=O)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C3=C(C=CC(=C3)Cl)N(C2=O)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H28ClN3O3/c1-2-36-29(35)32-17-15-31(16-18-32)27-26(22-11-7-4-8-12-22)24-19-23(30)13-14-25(24)33(28(27)34)20-21-9-5-3-6-10-21/h3-14,19H,2,15-18,20H2,1H3