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

Systemtic Name: [(2R)-3-(4-azanyl-3-chloranyl-5-methyl-phenyl)-1-(4-cyclohexylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl] 2-oxidanylidenespiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate Openeye Name: [(1R)-1-[(4-amino-3-chloro-5-methyl-phenyl)methyl]-2-(4-cyclohexylpiperazin-1-yl)-2-oxo-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-methylphenyl)-1-(4-cyclohexyl-1-piperazinyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-(4-amino-3-chloro-5-methylphenyl)-1-(4-cyclohexylpiperazin-1-yl)-1-oxopropan-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-methyl-benzyl)-2-(4-cyclohexylpiperazino)-2-keto-ethyl] ester Formula: C34H44ClN5O4 MolecularWeight: 622.19726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC(C(=O)N2CCN(CC2)C3CCCCC3)OC(=O)N4CCC5(CC4)CC(=O)NC6=CC=CC=C56)Cl)N

Isomeric SMILES

CC1=C(C(=CC(=C1)C[C@H](C(=O)N2CCN(CC2)C3CCCCC3)OC(=O)N4CCC5(CC4)CC(=O)NC6=CC=CC=C56)Cl)N

InChI

InChI=1S/C34H44ClN5O4/c1-23-19-24(20-27(35)31(23)36)21-29(32(42)39-17-15-38(16-18-39)25-7-3-2-4-8-25)44-33(43)40-13-11-34(12-14-40)22-30(41)37-28-10-6-5-9-26(28)34/h5-6,9-10,19-20,25,29H,2-4,7-8,11-18,21-22,36H2,1H3,(H,37,41)/t29-/m1/s1