4-[2-(3,5-dimethoxyphenyl)-6,6-dimethyl-8-oxidanylidene-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(3,5-dimethoxyphenyl)-6,6-dimethyl-8-oxidanylidene-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzenecarbonitrile Openeye Name: 4-[2-(3,5-dimethoxyphenyl)-6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzonitrile CAS Name: 4-[2-(3,5-dimethoxyphenyl)-6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzonitrile IUPAC Name: 4-[2-(3,5-dimethoxyphenyl)-6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzonitrile Traditional Name: 4-[2-(3,5-dimethoxyphenyl)-8-keto-6,6-dimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzonitrile Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(N3C(=N2)N=C(N3)C4=CC(=CC(=C4)OC)OC)C5=CC=C(C=C5)C#N)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(N3C(=N2)N=C(N3)C4=CC(=CC(=C4)OC)OC)C5=CC=C(C=C5)C#N)C(=O)C1)C

InChI

InChI=1S/C26H25N5O3/c1-26(2)12-20-22(21(32)13-26)23(16-7-5-15(14-27)6-8-16)31-25(28-20)29-24(30-31)17-9-18(33-3)11-19(10-17)34-4/h5-11,23H,12-13H2,1-4H3,(H,28,29,30)