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

Systemtic Name: 7-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)heptanoic acid Openeye Name: 7-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)heptanoic acid CAS Name: 7-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)heptanoic acid IUPAC Name: 7-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)heptanoic acid Traditional Name: 7-(8-keto-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)enanthic acid Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O3/c18-10-7-14-8-15-13-12(10)17(9-16-13)6-4-2-1-3-5-11(19)20/h8-9H,1-7H2,(H,14,15)(H,19,20)