tert-butyl 5-methyl-6-oxidanylidene-8-phenylmethoxy-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: tert-butyl 5-methyl-6-oxidanylidene-8-phenylmethoxy-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: tert-butyl 8-benzyloxy-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 5-methyl-6-oxo-8-phenylmethoxy-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-methyl-6-oxo-8-phenylmethoxy-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 8-benzoxy-6-keto-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C24H25N3O4/c1-24(2,3)31-23(29)21-20-13-26(4)22(28)18-12-17(10-11-19(18)27(20)15-25-21)30-14-16-8-6-5-7-9-16/h5-12,15H,13-14H2,1-4H3