3-(4-tert-butyl-1-oxidanylidene-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-2-methyl-propanenitrile

Systemtic Name: 3-(4-tert-butyl-1-oxidanylidene-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-2-methyl-propanenitrile Openeye Name: 3-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-2-methyl-propanenitrile CAS Name: 3-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-2-methylpropanenitrile IUPAC Name: 3-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-2-methylpropanenitrile Traditional Name: 3-(4-tert-butyl-1-keto-5H-[1,2,5]triazepin[5,4-a]indol-2-yl)-2-methyl-propionitrile Formula: C19H22N4O MolecularWeight: 322.40418

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=CC3=CC=CC=C3N2CC(=N1)C(C)(C)C)C#N

Isomeric SMILES

CC(CN1C(=O)C2=CC3=CC=CC=C3N2CC(=N1)C(C)(C)C)C#N

InChI

InChI=1S/C19H22N4O/c1-13(10-20)11-23-18(24)16-9-14-7-5-6-8-15(14)22(16)12-17(21-23)19(2,3)4/h5-9,13H,11-12H2,1-4H3