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

Systemtic Name: methyl 2-(2-chlorophenyl)-2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]ethanoate Openeye Name: methyl 2-(2-chlorophenyl)-2-[4-(4-cyanobenzoyl)piperazin-1-yl]acetate CAS Name: 2-(2-chlorophenyl)-2-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-chlorophenyl)-2-[4-(4-cyanobenzoyl)piperazin-1-yl]acetate Traditional Name: 2-(2-chlorophenyl)-2-[4-(4-cyanobenzoyl)piperazino]acetic acid methyl ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O3/c1-28-21(27)19(17-4-2-3-5-18(17)22)24-10-12-25(13-11-24)20(26)16-8-6-15(14-23)7-9-16/h2-9,19H,10-13H2,1H3