(E)-2-(1,2-oxazol-5-yl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1,2-oxazol-5-yl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-isoxazol-5-yl-prop-2-enenitrile CAS Name: (E)-2-(5-isoxazolyl)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-2-(1,2-oxazol-5-yl)prop-2-enenitrile Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-isoxazol-5-yl-acrylonitrile Formula: C21H15N5O MolecularWeight: 353.3767

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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)C4=CC=NO4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)/C=C(\C#N)/C4=CC=NO4

InChI

InChI=1S/C21H15N5O/c22-12-18(20-8-10-24-27-20)11-19-15-26(14-16-5-2-1-3-6-16)25-21(19)17-7-4-9-23-13-17/h1-11,13,15H,14H2/b18-11+