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

Systemtic Name: 7-bromanyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine Openeye Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine CAS Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine IUPAC Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine Traditional Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine Formula: C20H21BrN4 MolecularWeight: 397.31154

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C(N1CC3=CN=CN3)C=CC(=C2)Br)CC4=CC=CC=C4

Isomeric SMILES

C1C(NCC2=C(N1CC3=CN=CN3)C=CC(=C2)Br)CC4=CC=CC=C4

InChI

InChI=1S/C20H21BrN4/c21-17-6-7-20-16(9-17)10-23-18(8-15-4-2-1-3-5-15)12-25(20)13-19-11-22-14-24-19/h1-7,9,11,14,18,23H,8,10,12-13H2,(H,22,24)