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

Systemtic Name: tert-butyl 1-(1H-imidazol-5-ylmethyl)-8-nitro-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Openeye Name: tert-butyl 3-benzyl-1-(1H-imidazol-5-ylmethyl)-8-nitro-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate CAS Name: 1-(1H-imidazol-5-ylmethyl)-8-nitro-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-benzyl-1-(1H-imidazol-5-ylmethyl)-8-nitro-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-8-nitro-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(C=C(C=C2)[N+](=O)[O-])N(CC1CC3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(C=C(C=C2)[N+](=O)[O-])N(CC1CC3=CC=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C25H29N5O4/c1-25(2,3)34-24(31)29-14-19-9-10-21(30(32)33)12-23(19)28(15-20-13-26-17-27-20)16-22(29)11-18-7-5-4-6-8-18/h4-10,12-13,17,22H,11,14-16H2,1-3H3,(H,26,27)