methyl 2-[1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C23H23ClN4O3 MolecularWeight: 438.90672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

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