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

Systemtic Name: 5-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)pentanenitrile Openeye Name: 5-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)pentanenitrile CAS Name: 5-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)pentanenitrile IUPAC Name: 5-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)pentanenitrile Traditional Name: 5-(8-keto-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)valeronitrile Formula: C11H13N5O MolecularWeight: 231.25382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N5O/c12-4-2-1-3-5-16-8-15-10-9(17)6-13-7-14-11(10)16/h7-8H,1-3,5-6H2,(H,13,14)