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

Systemtic Name: ethyl 2-ethyl-4-[(2-methoxyphenyl)carbamoylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[(2-methoxyphenyl)carbamoylamino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[(2-methoxyanilino)-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[(2-methoxyphenyl)carbamoylamino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[(2-methoxyphenyl)carbamoylamino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)NC3=CC=CC=C3OC)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)NC3=CC=CC=C3OC)C(=O)OCC

InChI

InChI=1S/C22H24N4O4/c1-4-14-19(21(27)30-5-2)20(24-16-11-7-6-10-15(16)23-14)26-22(28)25-17-12-8-9-13-18(17)29-3/h6-13,23H,4-5H2,1-3H3,(H2,24,25,26,28)