3-(7,7-dimethyl-8-oxidanylidene-1,5,6,9-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)benzenecarbonitrile

Systemtic Name: 3-(7,7-dimethyl-8-oxidanylidene-1,5,6,9-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)benzenecarbonitrile Openeye Name: 3-(7,7-dimethyl-8-oxo-1,5,6,9-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)benzonitrile CAS Name: 3-(7,7-dimethyl-8-oxo-1,5,6,9-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)benzonitrile IUPAC Name: 3-(7,7-dimethyl-8-oxo-1,5,6,9-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)benzonitrile Traditional Name: 3-(8-keto-7,7-dimethyl-1,5,6,9-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)benzonitrile Formula: C19H18N4O MolecularWeight: 318.37242

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(C1=O)C(N3C(=N2)C=CN3)C4=CC=CC(=C4)C#N)C

Isomeric SMILES

CC1(CCC2=C(C1=O)C(N3C(=N2)C=CN3)C4=CC=CC(=C4)C#N)C

InChI

InChI=1S/C19H18N4O/c1-19(2)8-6-14-16(18(19)24)17(23-15(22-14)7-9-21-23)13-5-3-4-12(10-13)11-20/h3-5,7,9-10,17,21H,6,8H2,1-2H3