3-[4-(4-oxidanylidene-3-phenyl-1,2-dihydroquinazolin-2-yl)-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-(4-oxidanylidene-3-phenyl-1,2-dihydroquinazolin-2-yl)-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-(4-keto-3-phenyl-1,2-dihydroquinazolin-2-yl)-3-phenyl-pyrazol-1-yl]propionitrile Formula: C26H21N5O MolecularWeight: 419.47784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C3NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C3NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5)CCC#N

InChI

InChI=1S/C26H21N5O/c27-16-9-17-30-18-22(24(29-30)19-10-3-1-4-11-19)25-28-23-15-8-7-14-21(23)26(32)31(25)20-12-5-2-6-13-20/h1-8,10-15,18,25,28H,9,17H2