(phenylmethyl) 3-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: benzyl 3-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 3-[2-[(4-chlorobenzyl)amino]-2-keto-ethyl]piperazine-1-carboxylic acid benzyl ester Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC(=O)NCC2=CC=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC(N1)CC(=O)NCC2=CC=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O3/c22-18-8-6-16(7-9-18)13-24-20(26)12-19-14-25(11-10-23-19)21(27)28-15-17-4-2-1-3-5-17/h1-9,19,23H,10-15H2,(H,24,26)