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

Systemtic Name: methyl 8-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)octanoate Openeye Name: methyl 8-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)octanoate CAS Name: 8-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)octanoic acid methyl ester IUPAC Name: methyl 8-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)octanoate Traditional Name: 8-(8-keto-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)caprylic acid methyl ester Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCN1C=NC2=C1NC=NCC2=O

Isomeric SMILES

COC(=O)CCCCCCCN1C=NC2=C1NC=NCC2=O

InChI

InChI=1S/C15H22N4O3/c1-22-13(21)7-5-3-2-4-6-8-19-11-18-14-12(20)9-16-10-17-15(14)19/h10-11H,2-9H2,1H3,(H,16,17)