tert-butyl 3-oxidanylidene-4-[1-(phenylmethyl)piperidin-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-oxidanylidene-4-[1-(phenylmethyl)piperidin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(1-benzyl-4-piperidyl)-3-oxo-piperazine-1-carboxylate CAS Name: 3-oxo-4-[1-(phenylmethyl)-4-piperidinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-benzylpiperidin-4-yl)-3-oxopiperazine-1-carboxylate Traditional Name: 4-(1-benzyl-4-piperidyl)-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O3/c1-21(2,3)27-20(26)23-13-14-24(19(25)16-23)18-9-11-22(12-10-18)15-17-7-5-4-6-8-17/h4-8,18H,9-16H2,1-3H3