(E)-3-(1,3-dimethylpyrazol-4-yl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(1,3-dimethylpyrazol-4-yl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(1,3-dimethylpyrazol-4-yl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(1,3-dimethyl-4-pyrazolyl)-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(1,3-dimethylpyrazol-4-yl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(1,3-dimethylpyrazol-4-yl)-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C16H13N5O MolecularWeight: 291.30732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C=C(C#N)C2=NC(=O)C3=CC=CC=C3N2)C

Isomeric SMILES

CC1=NN(C=C1/C=C(\C#N)/C2=NC(=O)C3=CC=CC=C3N2)C

InChI

InChI=1S/C16H13N5O/c1-10-12(9-21(2)20-10)7-11(8-17)15-18-14-6-4-3-5-13(14)16(22)19-15/h3-7,9H,1-2H3,(H,18,19,22)/b11-7+