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

Systemtic Name: 4-(3-tert-butyl-8-oxidanylidene-1-propyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzenecarbonitrile Openeye Name: 4-(3-tert-butyl-8-oxo-1-propyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzonitrile CAS Name: 4-(3-tert-butyl-8-oxo-1-propyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzonitrile IUPAC Name: 4-(3-tert-butyl-8-oxo-1-propyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzonitrile Traditional Name: 4-(3-tert-butyl-8-keto-1-propyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzonitrile Formula: C20H23N5O MolecularWeight: 349.42952

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=N1)C(C)(C)C)N=C(CNC2=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCN1C2=C(C(=N1)C(C)(C)C)N=C(CNC2=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H23N5O/c1-5-10-25-17-16(18(24-25)20(2,3)4)23-15(12-22-19(17)26)14-8-6-13(11-21)7-9-14/h6-9H,5,10,12H2,1-4H3,(H,22,26)