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

Systemtic Name: ethyl 2-ethyl-4-(2-naphthalen-2-yloxyethanoylamino)-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[[2-(2-naphthyloxy)acetyl]amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[2-(2-naphthalenyloxy)-1-oxoethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[(2-naphthalen-2-yloxyacetyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[[2-(2-naphthoxy)acetyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)COC3=CC4=CC=CC=C4C=C3)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)COC3=CC4=CC=CC=C4C=C3)C(=O)OCC

InChI

InChI=1S/C26H25N3O4/c1-3-20-24(26(31)32-4-2)25(28-22-12-8-7-11-21(22)27-20)29-23(30)16-33-19-14-13-17-9-5-6-10-18(17)15-19/h5-15,27H,3-4,16H2,1-2H3,(H,28,29,30)