[(2R)-3-(4-azanyl-3-chloranyl-5-ethyl-phenyl)-1-oxidanylidene-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxidanylidenespiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate

Systemtic Name: [(2R)-3-(4-azanyl-3-chloranyl-5-ethyl-phenyl)-1-oxidanylidene-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxidanylidenespiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate Openeye Name: [(1R)-1-[(4-amino-3-chloro-5-ethyl-phenyl)methyl]-2-oxo-2-[4-(4-piperidyl)piperazin-1-yl]ethyl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate CAS Name: 2-oxo-1'-spiro[1,3-dihydroquinoline-4,4'-piperidine]carboxylic acid [(2R)-3-(4-amino-3-chloro-5-ethylphenyl)-1-oxo-1-[4-(4-piperidinyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [(2R)-3-(4-amino-3-chloro-5-ethylphenyl)-1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate Traditional Name: 2-ketospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylic acid [(1R)-1-(4-amino-3-chloro-5-ethyl-benzyl)-2-keto-2-[4-(4-piperidyl)piperazino]ethyl] ester Formula: C34H45ClN6O4 MolecularWeight: 637.2119

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)CC(C(=O)N2CCN(CC2)C3CCNCC3)OC(=O)N4CCC5(CC4)CC(=O)NC6=CC=CC=C56)Cl)N

Isomeric SMILES

CCC1=C(C(=CC(=C1)C[C@H](C(=O)N2CCN(CC2)C3CCNCC3)OC(=O)N4CCC5(CC4)CC(=O)NC6=CC=CC=C56)Cl)N

InChI

InChI=1S/C34H45ClN6O4/c1-2-24-19-23(20-27(35)31(24)36)21-29(32(43)40-17-15-39(16-18-40)25-7-11-37-12-8-25)45-33(44)41-13-9-34(10-14-41)22-30(42)38-28-6-4-3-5-26(28)34/h3-6,19-20,25,29,37H,2,7-18,21-22,36H2,1H3,(H,38,42)/t29-/m1/s1