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

Systemtic Name: methyl 2-(2-chlorophenyl)-2-[4-(1-phenylpyrazol-4-yl)carbonylpiperazin-1-yl]ethanoate Openeye Name: methyl 2-(2-chlorophenyl)-2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]acetate CAS Name: 2-(2-chlorophenyl)-2-[4-[oxo-(1-phenyl-4-pyrazolyl)methyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-chlorophenyl)-2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]acetate Traditional Name: 2-(2-chlorophenyl)-2-[4-(1-phenylpyrazole-4-carbonyl)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=CC=C1Cl)N2CCN(CC2)C(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

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