tert-butyl 4-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(4-benzylpiperazino)phenyl]carbamoyl]piperidine-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)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

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