methyl 7-bromanyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-oxidanylidene-1,4-dihydro-1,4-benzodiazepine-2-carboxylate

Systemtic Name: methyl 7-bromanyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-oxidanylidene-1,4-dihydro-1,4-benzodiazepine-2-carboxylate Openeye Name: methyl 7-bromo-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-oxo-1,4-dihydro-1,4-benzodiazepine-2-carboxylate CAS Name: 7-bromo-3-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-5-oxo-1,4-dihydro-1,4-benzodiazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 7-bromo-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-oxo-1,4-dihydro-1,4-benzodiazepine-2-carboxylate Traditional Name: 7-bromo-5-keto-3-[[4-(2-methoxyphenyl)piperazino]methyl]-1,4-dihydro-1,4-benzodiazepine-2-carboxylic acid methyl ester Formula: C23H25BrN4O4 MolecularWeight: 501.373

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC3=C(NC4=C(C=C(C=C4)Br)C(=O)N3)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC3=C(NC4=C(C=C(C=C4)Br)C(=O)N3)C(=O)OC

InChI

InChI=1S/C23H25BrN4O4/c1-31-20-6-4-3-5-19(20)28-11-9-27(10-12-28)14-18-21(23(30)32-2)25-17-8-7-15(24)13-16(17)22(29)26-18/h3-8,13,25H,9-12,14H2,1-2H3,(H,26,29)