(phenylmethyl) 4-[1-(3-chlorophenyl)pent-1-yn-3-yl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[1-(3-chlorophenyl)pent-1-yn-3-yl]piperazine-1-carboxylate Openeye Name: benzyl 4-[3-(3-chlorophenyl)-1-ethyl-prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[1-(3-chlorophenyl)pent-1-yn-3-yl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[1-(3-chlorophenyl)pent-1-yn-3-yl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-chlorophenyl)-1-ethyl-prop-2-ynyl]piperazine-1-carboxylic acid benzyl ester Formula: C23H25ClN2O2 MolecularWeight: 396.9098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC1=CC(=CC=C1)Cl)N2CCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C#CC1=CC(=CC=C1)Cl)N2CCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H25ClN2O2/c1-2-22(12-11-19-9-6-10-21(24)17-19)25-13-15-26(16-14-25)23(27)28-18-20-7-4-3-5-8-20/h3-10,17,22H,2,13-16,18H2,1H3