(E)-2-benzamido-3-[1-(4-chlorophenyl)-3-methyl-5-phenyl-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[1-(4-chlorophenyl)-3-methyl-5-phenyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[1-(4-chlorophenyl)-3-methyl-5-phenyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[1-(4-chlorophenyl)-3-methyl-5-phenyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[1-(4-chlorophenyl)-3-methyl-5-phenylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[1-(4-chlorophenyl)-3-methyl-5-phenyl-pyrazol-4-yl]acrylic acid Formula: C26H20ClN3O3 MolecularWeight: 457.9083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C(=O)O)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H20ClN3O3/c1-17-22(16-23(26(32)33)28-25(31)19-10-6-3-7-11-19)24(18-8-4-2-5-9-18)30(29-17)21-14-12-20(27)13-15-21/h2-16H,1H3,(H,28,31)(H,32,33)/b23-16+