ethyl 2-ethyl-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-ethyl-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[1-oxo-3-(3,4,5-trimethoxyphenyl)propyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C26H31N3O6 MolecularWeight: 481.54084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)CCC3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)CCC3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCC

InChI

InChI=1S/C26H31N3O6/c1-6-17-23(26(31)35-7-2)25(28-19-11-9-8-10-18(19)27-17)29-22(30)13-12-16-14-20(32-3)24(34-5)21(15-16)33-4/h8-11,14-15,27H,6-7,12-13H2,1-5H3,(H,28,29,30)