methyl 2-(2-chlorophenyl)-2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(2-chlorophenyl)-2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]ethanoate Openeye Name: methyl 2-(2-chlorophenyl)-2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]acetate CAS Name: 2-(2-chlorophenyl)-2-[4-[(3-cyanophenyl)methyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-chlorophenyl)-2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]acetate Traditional Name: 2-(2-chlorophenyl)-2-[4-(3-cyanobenzyl)piperazino]acetic acid methyl ester Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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