ethyl 6-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)-2-phenyl-hexanoate

Systemtic Name: ethyl 6-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)-2-phenyl-hexanoate Openeye Name: ethyl 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)-2-phenyl-hexanoate CAS Name: 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)-2-phenylhexanoic acid ethyl ester IUPAC Name: ethyl 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)-2-phenylhexanoate Traditional Name: 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)-2-phenyl-hexanoic acid ethyl ester Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCN1C=NC2=C1C(CN=CN2)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CCCCN1C=NC2=C1C(CN=CN2)O)C3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3/c1-2-27-20(26)16(15-8-4-3-5-9-15)10-6-7-11-24-14-23-19-18(24)17(25)12-21-13-22-19/h3-5,8-9,13-14,16-17,25H,2,6-7,10-12H2,1H3,(H,21,22)