tert-butyl 4-[2-[1-(triphenylmethyl)imidazol-4-yl]ethanoyl]-3,5-dihydro-2H-1,4-benzodiazepine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[1-(triphenylmethyl)imidazol-4-yl]ethanoyl]-3,5-dihydro-2H-1,4-benzodiazepine-1-carboxylate Openeye Name: tert-butyl 4-[2-(1-tritylimidazol-4-yl)acetyl]-3,5-dihydro-2H-1,4-benzodiazepine-1-carboxylate CAS Name: 4-[1-oxo-2-[1-(triphenylmethyl)-4-imidazolyl]ethyl]-3,5-dihydro-2H-1,4-benzodiazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(1-tritylimidazol-4-yl)acetyl]-3,5-dihydro-2H-1,4-benzodiazepine-1-carboxylate Traditional Name: 4-[2-(1-tritylimidazol-4-yl)acetyl]-3,5-dihydro-2H-1,4-benzodiazepine-1-carboxylic acid tert-butyl ester Formula: C38H38N4O3 MolecularWeight: 598.73332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC2=CC=CC=C21)C(=O)CC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC2=CC=CC=C21)C(=O)CC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C38H38N4O3/c1-37(2,3)45-36(44)42-24-23-40(26-29-15-13-14-22-34(29)42)35(43)25-33-27-41(28-39-33)38(30-16-7-4-8-17-30,31-18-9-5-10-19-31)32-20-11-6-12-21-32/h4-22,27-28H,23-26H2,1-3H3