4-[[(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]amino]benzamide

Systemtic Name: 4-[[(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]amino]benzamide Openeye Name: 4-[[(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]amino]benzamide CAS Name: 4-[[(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: 4-[[(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]amino]benzamide Traditional Name: 4-[[(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acryloyl]amino]benzamide Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H24N4O4/c1-34-23-14-10-19(16-24(23)35-2)26-20(17-31(30-26)22-6-4-3-5-7-22)11-15-25(32)29-21-12-8-18(9-13-21)27(28)33/h3-17H,1-2H3,(H2,28,33)(H,29,32)/b15-11+