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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C2=C(NC=N1)N(C=N2)CCCCCCC#N

Isomeric SMILES

C1C(=O)C2=C(NC=N1)N(C=N2)CCCCCCC#N

InChI

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