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

Systemtic Name: methyl 4-[3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoylamino]benzoate Openeye Name: methyl 4-[3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoylamino]benzoate CAS Name: 4-[[3-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoylamino]benzoate Traditional Name: 4-[[3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acryloyl]amino]benzoic acid methyl ester Formula: C26H20ClN3O3 MolecularWeight: 457.9083

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H20ClN3O3/c1-33-26(32)19-9-14-22(15-10-19)28-24(31)16-11-20-17-30(23-5-3-2-4-6-23)29-25(20)18-7-12-21(27)13-8-18/h2-17H,1H3,(H,28,31)