4-(3-tert-butyl-1-ethyl-8-oxidanylidene-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzenecarbonitrile

Systemtic Name: 4-(3-tert-butyl-1-ethyl-8-oxidanylidene-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzenecarbonitrile Openeye Name: 4-(3-tert-butyl-1-ethyl-8-oxo-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzonitrile CAS Name: 4-(3-tert-butyl-1-ethyl-8-oxo-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzonitrile IUPAC Name: 4-(3-tert-butyl-1-ethyl-8-oxo-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzonitrile Traditional Name: 4-(3-tert-butyl-1-ethyl-8-keto-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzonitrile Formula: C19H21N5O MolecularWeight: 335.40294

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=N1)C(C)(C)C)N=C(CNC2=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCN1C2=C(C(=N1)C(C)(C)C)N=C(CNC2=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H21N5O/c1-5-24-16-15(17(23-24)19(2,3)4)22-14(11-21-18(16)25)13-8-6-12(10-20)7-9-13/h6-9H,5,11H2,1-4H3,(H,21,25)