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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)COC3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)COC3=CC=C(C=C3)Cl)C(=O)OCC

InChI

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