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

Systemtic Name: ethyl 2-[(3-bromophenyl)methyl]-6-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)hexanoate Openeye Name: ethyl 2-[(3-bromophenyl)methyl]-6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)hexanoate CAS Name: 2-[(3-bromophenyl)methyl]-6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)hexanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromophenyl)methyl]-6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)hexanoate Traditional Name: 2-(3-bromobenzyl)-6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)hexanoic acid ethyl ester Formula: C21H27BrN4O3 MolecularWeight: 463.36808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCN1C=NC2=C1NC=NCC2O)CC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C(CCCCN1C=NC2=C1NC=NCC2O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H27BrN4O3/c1-2-29-21(28)16(10-15-6-5-8-17(22)11-15)7-3-4-9-26-14-25-19-18(27)12-23-13-24-20(19)26/h5-6,8,11,13-14,16,18,27H,2-4,7,9-10,12H2,1H3,(H,23,24)