(E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-(4-propylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-(4-propylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-(4-propylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-2-[oxo-(4-propylphenyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]-2-(4-propylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-(4-propylbenzoyl)acrylonitrile Formula: C25H22N4O MolecularWeight: 394.46838

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)CCC#N)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)CCC#N)/C#N

InChI

InChI=1S/C25H22N4O/c1-2-7-19-10-12-21(13-11-19)25(30)22(17-27)16-23-18-29(15-6-14-26)28-24(23)20-8-4-3-5-9-20/h3-5,8-13,16,18H,2,6-7,15H2,1H3/b22-16+