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

Systemtic Name: ethyl 4-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperazine-1-carboxylate CAS Name: 4-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperazine-1-carboxylate Traditional Name: 4-(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)piperazine-1-carboxylic acid ethyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22ClN3O3/c1-2-29-22(28)26-12-10-25(11-13-26)20-19(15-6-4-3-5-7-15)17-14-16(23)8-9-18(17)24-21(20)27/h3-9,14H,2,10-13H2,1H3,(H,24,27)