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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=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

Isomeric SMILES

CCCOC1=CC=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

InChI

InChI=1S/C33H30N6O3/c1-4-19-42-29-17-15-24(16-18-29)31-26(22-38(36-31)27-11-7-5-8-12-27)20-25(21-34)32(40)35-30-23(2)37(3)39(33(30)41)28-13-9-6-10-14-28/h5-18,20,22H,4,19H2,1-3H3,(H,35,40)