tert-butyl 4-[3-(2-methylphenyl)phenyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(2-methylphenyl)phenyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(o-tolyl)phenyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[3-(2-methylphenyl)phenyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(2-methylphenyl)phenyl]-3-oxopiperazine-1-carboxylate Traditional Name: 3-keto-4-[3-(o-tolyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=CC=C2)N3CCN(CC3=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=CC=C2)N3CCN(CC3=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H26N2O3/c1-16-8-5-6-11-19(16)17-9-7-10-18(14-17)24-13-12-23(15-20(24)25)21(26)27-22(2,3)4/h5-11,14H,12-13,15H2,1-4H3