(E)-2-(phenylcarbonyl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(phenylcarbonyl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]acrylonitrile Formula: C25H18N4O MolecularWeight: 390.43662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C=C(C#N)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)/C=C(\C#N)/C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H18N4O/c26-15-22(25(30)20-10-5-2-6-11-20)14-23-18-29(17-19-8-3-1-4-9-19)28-24(23)21-12-7-13-27-16-21/h1-14,16,18H,17H2/b22-14+