tert-butyl 8-azanyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate

Systemtic Name: tert-butyl 8-azanyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Openeye Name: tert-butyl 8-amino-3-benzyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate CAS Name: 8-amino-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-amino-3-benzyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Traditional Name: 8-amino-3-benzyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O2/c1-25(2,3)32-24(31)30-14-19-9-10-20(26)12-23(19)29(15-21-13-27-17-28-21)16-22(30)11-18-7-5-4-6-8-18/h4-10,12-13,17,22H,11,14-16,26H2,1-3H3,(H,27,28)