ethyl 3a,8-dimethyl-3-(4-methylphenyl)-5-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1-carboxylate

Systemtic Name: ethyl 3a,8-dimethyl-3-(4-methylphenyl)-5-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1-carboxylate Openeye Name: ethyl 3a,8-dimethyl-5-phenyl-3-(p-tolyl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1-carboxylate CAS Name: 3a,8-dimethyl-3-(4-methylphenyl)-5-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1-carboxylic acid ethyl ester IUPAC Name: ethyl 3a,8-dimethyl-3-(4-methylphenyl)-5-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1-carboxylate Traditional Name: 3a,8-dimethyl-5-phenyl-3-(p-tolyl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1-carboxylic acid ethyl ester Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2(N1C3=C(C=C(C=C3)C)N=C(C2)C4=CC=CC=C4)C)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=NN(C2(N1C3=C(C=C(C=C3)C)N=C(C2)C4=CC=CC=C4)C)C5=CC=C(C=C5)C

InChI

InChI=1S/C28H28N4O2/c1-5-34-27(33)26-30-32(22-14-11-19(2)12-15-22)28(4)18-24(21-9-7-6-8-10-21)29-23-17-20(3)13-16-25(23)31(26)28/h6-17H,5,18H2,1-4H3