2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: 2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: 2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: 2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: 2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: 2-cyano-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C33H30N6O3 MolecularWeight: 558.6297

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C5=CC=CC=C5)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C5=CC=CC=C5)C

InChI

InChI=1S/C33H30N6O3/c1-5-42-29-17-16-24(18-22(29)2)31-26(21-38(36-31)27-12-8-6-9-13-27)19-25(20-34)32(40)35-30-23(3)37(4)39(33(30)41)28-14-10-7-11-15-28/h6-19,21H,5H2,1-4H3,(H,35,40)