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

Systemtic Name: 7-bromanyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide Openeye Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide CAS Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide IUPAC Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide Traditional Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide Formula: C21H22BrN5O MolecularWeight: 440.33628

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)Br)C(=O)N)CC4=CC=CC=C4

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)Br)C(=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C21H22BrN5O/c22-17-6-7-20-16(9-17)11-27(21(23)28)19(8-15-4-2-1-3-5-15)13-26(20)12-18-10-24-14-25-18/h1-7,9-10,14,19H,8,11-13H2,(H2,23,28)(H,24,25)