7-bromanyl-1,4-bis(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 7-bromanyl-1,4-bis(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 3-benzyl-7-bromo-1,4-bis(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7-bromo-1,4-bis(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 3-benzyl-7-bromo-1,4-bis(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 3-benzyl-7-bromo-1,4-bis(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Formula: C24H25BrN6 MolecularWeight: 477.3995

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)Br)CC4=CN=CN4)CC5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)Br)CC4=CN=CN4)CC5=CC=CC=C5

InChI

InChI=1S/C24H25BrN6/c25-20-6-7-24-19(9-20)12-30(13-21-10-26-16-28-21)23(8-18-4-2-1-3-5-18)15-31(24)14-22-11-27-17-29-22/h1-7,9-11,16-17,23H,8,12-15H2,(H,26,28)(H,27,29)