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

Systemtic Name: ethyl 4-[2-(2-chloranylphenoxy)ethanoylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[[2-(2-chlorophenoxy)acetyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[2-(2-chlorophenoxy)-1-oxoethyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-chlorophenoxy)acetyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[[2-(2-chlorophenoxy)acetyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C22H22ClN3O4 MolecularWeight: 427.88078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)COC3=CC=CC=C3Cl)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)COC3=CC=CC=C3Cl)C(=O)OCC

InChI

InChI=1S/C22H22ClN3O4/c1-3-15-20(22(28)29-4-2)21(25-17-11-7-6-10-16(17)24-15)26-19(27)13-30-18-12-8-5-9-14(18)23/h5-12,24H,3-4,13H2,1-2H3,(H,25,26,27)