ethyl 6-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)-2-phenyl-hexanoate

Systemtic Name: ethyl 6-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)-2-phenyl-hexanoate Openeye Name: ethyl 6-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)-2-phenyl-hexanoate CAS Name: 6-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)-2-phenylhexanoic acid ethyl ester IUPAC Name: ethyl 6-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)-2-phenylhexanoate Traditional Name: 6-(8-keto-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)-2-phenyl-hexanoic acid ethyl ester Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCN1C=NC2=C1NC=NCC2=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CCCCN1C=NC2=C1NC=NCC2=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O3/c1-2-27-20(26)16(15-8-4-3-5-9-15)10-6-7-11-24-14-23-18-17(25)12-21-13-22-19(18)24/h3-5,8-9,13-14,16H,2,6-7,10-12H2,1H3,(H,21,22)