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

Systemtic Name: ethyl 4-methyl-3-[2-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]benzoate Openeye Name: ethyl 3-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-4-methyl-benzoate CAS Name: 3-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-4-methylbenzoate Traditional Name: 3-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-4-methyl-benzoic acid ethyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C)CCN2C=NC3=C2NC=NCC3O

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C)CCN2C=NC3=C2NC=NCC3O

InChI

InChI=1S/C18H22N4O3/c1-3-25-18(24)14-5-4-12(2)13(8-14)6-7-22-11-21-16-15(23)9-19-10-20-17(16)22/h4-5,8,10-11,15,23H,3,6-7,9H2,1-2H3,(H,19,20)