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

Systemtic Name: methyl 2-(4-chlorophenyl)-2-[4-(4-pyrazol-1-ylphenyl)carbonylpiperazin-1-yl]ethanoate Openeye Name: methyl 2-(4-chlorophenyl)-2-[4-(4-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetate CAS Name: 2-(4-chlorophenyl)-2-[4-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-2-[4-(4-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetate Traditional Name: 2-(4-chlorophenyl)-2-[4-(4-pyrazol-1-ylbenzoyl)piperazino]acetic acid methyl ester Formula: C23H23ClN4O3 MolecularWeight: 438.90672

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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=C(C=C3)N4C=CC=N4

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C23H23ClN4O3/c1-31-23(30)21(17-3-7-19(24)8-4-17)26-13-15-27(16-14-26)22(29)18-5-9-20(10-6-18)28-12-2-11-25-28/h2-12,21H,13-16H2,1H3