ethyl 6-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)hexanoate

Systemtic Name: ethyl 6-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)hexanoate Openeye Name: ethyl 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)hexanoate CAS Name: 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)hexanoic acid ethyl ester IUPAC Name: ethyl 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)hexanoate Traditional Name: 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)hexanoic acid ethyl ester Formula: C14H22N4O3 MolecularWeight: 294.34948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCN1C=NC2=C1C(CN=CN2)O

Isomeric SMILES

CCOC(=O)CCCCCN1C=NC2=C1C(CN=CN2)O

InChI

InChI=1S/C14H22N4O3/c1-2-21-12(20)6-4-3-5-7-18-10-17-14-13(18)11(19)8-15-9-16-14/h9-11,19H,2-8H2,1H3,(H,15,16)