tert-butyl 4-[4-[[1-(phenylmethyl)piperidin-4-yl]carbamoyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[1-(phenylmethyl)piperidin-4-yl]carbamoyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(1-benzyl-4-piperidyl)carbamoyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[oxo-[[1-(phenylmethyl)-4-piperidinyl]amino]methyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(1-benzyl-4-piperidyl)carbamoyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H38N4O3 MolecularWeight: 478.62632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H38N4O3/c1-28(2,3)35-27(34)32-19-17-31(18-20-32)25-11-9-23(10-12-25)26(33)29-24-13-15-30(16-14-24)21-22-7-5-4-6-8-22/h4-12,24H,13-21H2,1-3H3,(H,29,33)