(E)-2-(1H-indol-3-ylcarbonyl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-indol-3-ylcarbonyl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-2-(1H-indole-3-carbonyl)prop-2-enenitrile CAS Name: (E)-2-[1H-indol-3-yl(oxo)methyl]-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-2-(1H-indole-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-2-(1H-indole-3-carbonyl)acrylonitrile Formula: C22H16N4O MolecularWeight: 352.38864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=C(C#N)C(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C(\C#N)/C(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H16N4O/c23-11-18(22(27)20-13-24-21-9-5-4-8-19(20)21)10-17-12-25-26(15-17)14-16-6-2-1-3-7-16/h1-10,12-13,15,24H,14H2/b18-10+