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

Systemtic Name: methyl 2-(4-chlorophenyl)-2-[4-(3-cyanophenyl)carbonylpiperazin-1-yl]ethanoate Openeye Name: methyl 2-(4-chlorophenyl)-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetate CAS Name: 2-(4-chlorophenyl)-2-[4-[(3-cyanophenyl)-oxomethyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetate Traditional Name: 2-(4-chlorophenyl)-2-[4-(3-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=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

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

InChI

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