(phenylmethyl) 4-cyano-4-[(phenylmethyl)amino]piperidine-1-carboxylate hydrochloride

Systemtic Name: (phenylmethyl) 4-cyano-4-[(phenylmethyl)amino]piperidine-1-carboxylate hydrochloride Openeye Name: benzyl 4-(benzylamino)-4-cyano-piperidine-1-carboxylate hydrochloride CAS Name: 4-cyano-4-[(phenylmethyl)amino]-1-piperidinecarboxylic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 4-(benzylamino)-4-cyanopiperidine-1-carboxylate hydrochloride Traditional Name: 4-(benzylamino)-4-cyano-piperidine-1-carboxylic acid benzyl ester hydrochloride Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)NCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3.Cl

Isomeric SMILES

C1CN(CCC1(C#N)NCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3.Cl

InChI

InChI=1S/C21H23N3O2.ClH/c22-17-21(23-15-18-7-3-1-4-8-18)11-13-24(14-12-21)20(25)26-16-19-9-5-2-6-10-19;/h1-10,23H,11-16H2;1H