ethyl 2-ethyl-4-(2-phenoxyethanoylamino)-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-ethyl-4-(2-phenoxyethanoylamino)-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[(2-phenoxyacetyl)amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[(1-oxo-2-phenoxyethyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[(2-phenoxyacetyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[(2-phenoxyacetyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-3-16-20(22(27)28-4-2)21(24-18-13-9-8-12-17(18)23-16)25-19(26)14-29-15-10-6-5-7-11-15/h5-13,23H,3-4,14H2,1-2H3,(H,24,25,26)