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

Systemtic Name: 8-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)octanoic acid Openeye Name: 8-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)octanoic acid CAS Name: 8-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)octanoic acid IUPAC Name: 8-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)octanoic acid Traditional Name: 8-(8-keto-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)caprylic acid Formula: C14H20N4O3 MolecularWeight: 292.3336

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C2=C(NC=N1)N=CN2CCCCCCCC(=O)O

Isomeric SMILES

C1C(=O)C2=C(NC=N1)N=CN2CCCCCCCC(=O)O

InChI

InChI=1S/C14H20N4O3/c19-11-8-15-9-16-14-13(11)18(10-17-14)7-5-3-1-2-4-6-12(20)21/h9-10H,1-8H2,(H,15,16)(H,20,21)