ethyl 4-[2-(4-bromophenyl)ethanoylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-[2-(4-bromophenyl)ethanoylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[[2-(4-bromophenyl)acetyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[2-(4-bromophenyl)-1-oxoethyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-bromophenyl)acetyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[[2-(4-bromophenyl)acetyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H20BrN3O3/c1-3-28-21(27)19-13(2)23-16-6-4-5-7-17(16)24-20(19)25-18(26)12-14-8-10-15(22)11-9-14/h4-11,23H,3,12H2,1-2H3,(H,24,25,26)