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

Systemtic Name: 2-benzamido-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: 2-benzamido-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: 2-benzamido-3-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: 2-benzamido-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid Traditional Name: 2-benzamido-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid Formula: C25H18ClN3O3 MolecularWeight: 443.88172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18ClN3O3/c26-20-13-11-17(12-14-20)23-19(16-29(28-23)21-9-5-2-6-10-21)15-22(25(31)32)27-24(30)18-7-3-1-4-8-18/h1-16H,(H,27,30)(H,31,32)