tert-butyl 1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate

Systemtic Name: tert-butyl 1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Openeye Name: tert-butyl 1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate CAS Name: 1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Traditional Name: 1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C2=C(C1)C=C(C=C2)C3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C2=C(C1)C=C(C=C2)C3=CC=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C24H28N4O2/c1-24(2,3)30-23(29)28-12-11-27(16-21-14-25-17-26-21)22-10-9-19(13-20(22)15-28)18-7-5-4-6-8-18/h4-10,13-14,17H,11-12,15-16H2,1-3H3,(H,25,26)