methyl 2-[3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoylamino]ethanoate

Systemtic Name: methyl 2-[3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoylamino]ethanoate Openeye Name: methyl 2-[3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoylamino]acetate CAS Name: 2-[[3-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoylamino]acetate Traditional Name: 2-[[3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acryloyl]amino]acetic acid methyl ester Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C=CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CNC(=O)C=CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H18ClN3O3/c1-28-20(27)13-23-19(26)12-9-16-14-25(18-5-3-2-4-6-18)24-21(16)15-7-10-17(22)11-8-15/h2-12,14H,13H2,1H3,(H,23,26)