(E)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)-2-(4-propylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)-2-(4-propylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]-2-(4-propylbenzoyl)prop-2-enenitrile CAS Name: (E)-2-[oxo-(4-propylphenyl)methyl]-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-2-(4-propylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]-2-(4-propylbenzoyl)acrylonitrile Formula: C27H22N4O MolecularWeight: 418.48978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)/C(=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C27H22N4O/c1-2-7-20-11-13-21(14-12-20)27(32)23(17-28)16-24-19-31(25-9-4-3-5-10-25)30-26(24)22-8-6-15-29-18-22/h3-6,8-16,18-19H,2,7H2,1H3/b23-16+