3-[4-[(E)-2-(4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-2-(4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-2-(4-oxo-1H-quinazolin-2-yl)vinyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-2-(4-keto-1H-quinazolin-2-yl)vinyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C22H17N5O MolecularWeight: 367.40328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=CC3=NC(=O)C4=CC=CC=C4N3)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C/C3=NC(=O)C4=CC=CC=C4N3)CCC#N

InChI

InChI=1S/C22H17N5O/c23-13-6-14-27-15-17(21(26-27)16-7-2-1-3-8-16)11-12-20-24-19-10-5-4-9-18(19)22(28)25-20/h1-5,7-12,15H,6,14H2,(H,24,25,28)/b12-11+