methyl 2-chloranyl-5-[2-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)ethyl]benzoate

Systemtic Name: methyl 2-chloranyl-5-[2-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)ethyl]benzoate Openeye Name: methyl 2-chloro-5-[2-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)ethyl]benzoate CAS Name: 2-chloro-5-[2-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[2-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)ethyl]benzoate Traditional Name: 2-chloro-5-[2-(8-keto-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)ethyl]benzoic acid methyl ester Formula: C16H15ClN4O3 MolecularWeight: 346.7683

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)CCN2C=NC3=C2NC=NCC3=O)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)CCN2C=NC3=C2NC=NCC3=O)Cl

InChI

InChI=1S/C16H15ClN4O3/c1-24-16(23)11-6-10(2-3-12(11)17)4-5-21-9-20-14-13(22)7-18-8-19-15(14)21/h2-3,6,8-9H,4-5,7H2,1H3,(H,18,19)