methyl 2-(2-chlorophenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(2-chlorophenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanoate Openeye Name: methyl 2-(2-chlorophenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetate CAS Name: 2-(2-chlorophenyl)-2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-chlorophenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetate Traditional Name: 2-(2-chlorophenyl)-2-[4-(4-cyanobenzyl)piperazino]acetic acid methyl ester Formula: C21H22ClN3O2 MolecularWeight: 383.87128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22ClN3O2/c1-27-21(26)20(18-4-2-3-5-19(18)22)25-12-10-24(11-13-25)15-17-8-6-16(14-23)7-9-17/h2-9,20H,10-13,15H2,1H3