(E)-3-(1-phenylpyrazol-4-yl)-2-(4-propylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(1-phenylpyrazol-4-yl)-2-(4-propylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(1-phenylpyrazol-4-yl)-2-(4-propylbenzoyl)prop-2-enenitrile CAS Name: (E)-2-[oxo-(4-propylphenyl)methyl]-3-(1-phenyl-4-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-3-(1-phenylpyrazol-4-yl)-2-(4-propylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(1-phenylpyrazol-4-yl)-2-(4-propylbenzoyl)acrylonitrile Formula: C22H19N3O MolecularWeight: 341.40576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(=CC2=CN(N=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O/c1-2-6-17-9-11-19(12-10-17)22(26)20(14-23)13-18-15-24-25(16-18)21-7-4-3-5-8-21/h3-5,7-13,15-16H,2,6H2,1H3/b20-13+