6-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)hexanoic acid

Systemtic Name: 6-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)hexanoic acid Openeye Name: 6-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)hexanoic acid CAS Name: 6-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)hexanoic acid IUPAC Name: 6-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)hexanoic acid Traditional Name: 6-(8-keto-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)hexanoic acid Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C2=C(NC=N1)N=CN2CCCCCC(=O)O

Isomeric SMILES

C1C(=O)C2=C(NC=N1)N=CN2CCCCCC(=O)O

InChI

InChI=1S/C12H16N4O3/c17-9-6-13-7-14-12-11(9)16(8-15-12)5-3-1-2-4-10(18)19/h7-8H,1-6H2,(H,13,14)(H,18,19)