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

Systemtic Name: tert-butyl N-[4-[4-(2-methylphenyl)-3-oxidanylidene-piperazin-1-yl]-1-phenyl-cyclohexyl]carbamate Openeye Name: tert-butyl N-[4-[4-(o-tolyl)-3-oxo-piperazin-1-yl]-1-phenyl-cyclohexyl]carbamate CAS Name: N-[4-[4-(2-methylphenyl)-3-oxo-1-piperazinyl]-1-phenylcyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-(2-methylphenyl)-3-oxopiperazin-1-yl]-1-phenylcyclohexyl]carbamate Traditional Name: N-[4-[3-keto-4-(o-tolyl)piperazino]-1-phenyl-cyclohexyl]carbamic acid tert-butyl ester Formula: C28H37N3O3 MolecularWeight: 463.61168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2=O)C3CCC(CC3)(C4=CC=CC=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2=O)C3CCC(CC3)(C4=CC=CC=C4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H37N3O3/c1-21-10-8-9-13-24(21)31-19-18-30(20-25(31)32)23-14-16-28(17-15-23,22-11-6-5-7-12-22)29-26(33)34-27(2,3)4/h5-13,23H,14-20H2,1-4H3,(H,29,33)