7-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)heptanenitrile

Systemtic Name: 7-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)heptanenitrile Openeye Name: 7-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)heptanenitrile CAS Name: 7-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)heptanenitrile IUPAC Name: 7-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)heptanenitrile Traditional Name: 7-(8-keto-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)enanthonitrile Formula: C13H17N5O MolecularWeight: 259.30698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C2=C(NC=N1)N=CN2CCCCCCC#N

Isomeric SMILES

C1C(=O)C2=C(NC=N1)N=CN2CCCCCCC#N

InChI

InChI=1S/C13H17N5O/c14-6-4-2-1-3-5-7-18-10-17-13-12(18)11(19)8-15-9-16-13/h9-10H,1-5,7-8H2,(H,15,16)