3-(8-oxidanylidene-5,6,7,9-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-yl)benzenecarbonitrile

Systemtic Name: 3-(8-oxidanylidene-5,6,7,9-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-yl)benzenecarbonitrile Openeye Name: 3-(8-oxo-5,6,7,9-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-yl)benzonitrile CAS Name: 3-(8-oxo-5,6,7,9-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-yl)benzonitrile IUPAC Name: 3-(8-oxo-5,6,7,9-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-yl)benzonitrile Traditional Name: 3-(8-keto-5,6,7,9-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-yl)benzonitrile Formula: C17H14N4O MolecularWeight: 290.31926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(N3C(=N2)C=CN3)C4=CC=CC(=C4)C#N)C(=O)C1

Isomeric SMILES

C1CC2=C(C(N3C(=N2)C=CN3)C4=CC=CC(=C4)C#N)C(=O)C1

InChI

InChI=1S/C17H14N4O/c18-10-11-3-1-4-12(9-11)17-16-13(5-2-6-14(16)22)20-15-7-8-19-21(15)17/h1,3-4,7-9,17,19H,2,5-6H2