ethyl 2-methyl-4-[[(2R)-2-phenylbutanoyl]amino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-[[(2R)-2-phenylbutanoyl]amino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-methyl-4-[[(2R)-2-phenylbutanoyl]amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-methyl-4-[[(2R)-1-oxo-2-phenylbutyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[[(2R)-2-phenylbutanoyl]amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-methyl-4-[[(2R)-2-phenylbutanoyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=NC3=CC=CC=C3NC(=C2C(=O)OCC)C

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)NC2=NC3=CC=CC=C3NC(=C2C(=O)OCC)C

InChI

InChI=1S/C23H25N3O3/c1-4-17(16-11-7-6-8-12-16)22(27)26-21-20(23(28)29-5-2)15(3)24-18-13-9-10-14-19(18)25-21/h6-14,17,24H,4-5H2,1-3H3,(H,25,26,27)/t17-/m1/s1