tert-butyl N-[4-[4-(2-chlorophenyl)-3-oxidanylidene-piperazin-1-yl]-1-phenyl-cyclohexyl]carbamate

Systemtic Name: tert-butyl N-[4-[4-(2-chlorophenyl)-3-oxidanylidene-piperazin-1-yl]-1-phenyl-cyclohexyl]carbamate Openeye Name: tert-butyl N-[4-[4-(2-chlorophenyl)-3-oxo-piperazin-1-yl]-1-phenyl-cyclohexyl]carbamate CAS Name: N-[4-[4-(2-chlorophenyl)-3-oxo-1-piperazinyl]-1-phenylcyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-(2-chlorophenyl)-3-oxopiperazin-1-yl]-1-phenylcyclohexyl]carbamate Traditional Name: N-[4-[4-(2-chlorophenyl)-3-keto-piperazino]-1-phenyl-cyclohexyl]carbamic acid tert-butyl ester Formula: C27H34ClN3O3 MolecularWeight: 484.03016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1(CCC(CC1)N2CCN(C(=O)C2)C3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NC1(CCC(CC1)N2CCN(C(=O)C2)C3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H34ClN3O3/c1-26(2,3)34-25(33)29-27(20-9-5-4-6-10-20)15-13-21(14-16-27)30-17-18-31(24(32)19-30)23-12-8-7-11-22(23)28/h4-12,21H,13-19H2,1-3H3,(H,29,33)