ethyl 4-[(3,4-dichlorophenyl)carbamoylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-[(3,4-dichlorophenyl)carbamoylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[(3,4-dichlorophenyl)carbamoylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[(3,4-dichloroanilino)-oxomethyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3,4-dichlorophenyl)carbamoylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[(3,4-dichlorophenyl)carbamoylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C21H20Cl2N4O3 MolecularWeight: 447.3145

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)OCC

InChI

InChI=1S/C21H20Cl2N4O3/c1-3-15-18(20(28)30-4-2)19(26-17-8-6-5-7-16(17)25-15)27-21(29)24-12-9-10-13(22)14(23)11-12/h5-11,25H,3-4H2,1-2H3,(H2,24,26,27,29)