tert-butyl 4-[4-[[(4-methylphenyl)carbonylamino]methyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[(4-methylphenyl)carbonylamino]methyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[(4-methylbenzoyl)amino]methyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[[(4-methylphenyl)-oxomethyl]amino]methyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[(4-methylbenzoyl)amino]methyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(p-toluoylamino)methyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H31N3O3/c1-18-5-9-20(10-6-18)22(28)25-17-19-7-11-21(12-8-19)26-13-15-27(16-14-26)23(29)30-24(2,3)4/h5-12H,13-17H2,1-4H3,(H,25,28)