ethyl (3R)-7-cyano-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate

Systemtic Name: ethyl (3R)-7-cyano-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Openeye Name: ethyl (3R)-3-benzyl-7-cyano-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate CAS Name: (3R)-7-cyano-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-benzyl-7-cyano-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Traditional Name: (3R)-3-benzyl-7-cyano-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid ethyl ester Formula: C24H25N5O2 MolecularWeight: 415.4876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

CCOC(=O)N1CC2=C(C=CC(=C2)C#N)N(C[C@H]1CC3=CC=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C24H25N5O2/c1-2-31-24(30)29-14-20-10-19(12-25)8-9-23(20)28(15-21-13-26-17-27-21)16-22(29)11-18-6-4-3-5-7-18/h3-10,13,17,22H,2,11,14-16H2,1H3,(H,26,27)/t22-/m1/s1