methyl 8-azanyl-2-(2-chloranylpyridin-3-yl)-3H-1,3-benzodiazepine-4-carboxylate

Systemtic Name: methyl 8-azanyl-2-(2-chloranylpyridin-3-yl)-3H-1,3-benzodiazepine-4-carboxylate Openeye Name: methyl 8-amino-2-(2-chloro-3-pyridyl)-3H-1,3-benzodiazepine-4-carboxylate CAS Name: 8-amino-2-(2-chloro-3-pyridinyl)-3H-1,3-benzodiazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 8-amino-2-(2-chloropyridin-3-yl)-3H-1,3-benzodiazepine-4-carboxylate Traditional Name: 8-amino-2-(2-chloro-3-pyridyl)-3H-1,3-benzodiazepine-4-carboxylic acid methyl ester Formula: C16H13ClN4O2 MolecularWeight: 328.75302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C(C=C2)N)N=C(N1)C3=C(N=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C(C=C2)N)N=C(N1)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C16H13ClN4O2/c1-23-16(22)13-7-9-4-5-10(18)8-12(9)20-15(21-13)11-3-2-6-19-14(11)17/h2-8H,18H2,1H3,(H,20,21)