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

Systemtic Name: ethyl 4-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C23H24ClN3O4 MolecularWeight: 441.90736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O4/c1-4-16-21(23(29)30-5-2)22(26-18-9-7-6-8-17(18)25-16)27-20(28)13-31-19-11-10-15(24)12-14(19)3/h6-12,25H,4-5,13H2,1-3H3,(H,26,27,28)