ethyl 4-[(3S)-1-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)piperidin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)piperidin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[(3S)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)nipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C28H31ClN4O4 MolecularWeight: 523.02314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)C3=C(C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H]2CCCN(C2)C3=C(C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=CC=C5

InChI

InChI=1S/C28H31ClN4O4/c1-2-37-28(36)32-15-13-31(14-16-32)27(35)20-9-6-12-33(18-20)25-24(19-7-4-3-5-8-19)22-17-21(29)10-11-23(22)30-26(25)34/h3-5,7-8,10-11,17,20H,2,6,9,12-16,18H2,1H3,(H,30,34)/t20-/m0/s1