N-(4-chlorophenyl)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: N-(4-chlorophenyl)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: N-(4-chlorophenyl)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: N-(4-chlorophenyl)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: N-(4-chlorophenyl)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: N-(4-chlorophenyl)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C27H21ClN4O3 MolecularWeight: 484.93364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21ClN4O3/c1-34-24-13-8-18(15-25(24)35-2)26-20(17-32(31-26)23-6-4-3-5-7-23)14-19(16-29)27(33)30-22-11-9-21(28)10-12-22/h3-15,17H,1-2H3,(H,30,33)