methyl 2-[2-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethoxy]benzoate

Systemtic Name: methyl 2-[2-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethoxy]benzoate Openeye Name: methyl 2-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethoxy]benzoate CAS Name: 2-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethoxy]benzoate Traditional Name: 2-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethoxy]benzoic acid methyl ester Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1OCCN2C=NC3=C2NC=NCC3O

Isomeric SMILES

COC(=O)C1=CC=CC=C1OCCN2C=NC3=C2NC=NCC3O

InChI

InChI=1S/C16H18N4O4/c1-23-16(22)11-4-2-3-5-13(11)24-7-6-20-10-19-14-12(21)8-17-9-18-15(14)20/h2-5,9-10,12,21H,6-8H2,1H3,(H,17,18)