1-[7-bromanyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone

Systemtic Name: 1-[7-bromanyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone Openeye Name: 1-[3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone CAS Name: 1-[7-bromo-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone IUPAC Name: 1-[3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone Traditional Name: 1-[3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone Formula: C22H23BrN4O MolecularWeight: 439.34822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN4O/c1-16(28)27-12-18-10-19(23)7-8-22(18)26(13-20-11-24-15-25-20)14-21(27)9-17-5-3-2-4-6-17/h2-8,10-11,15,21H,9,12-14H2,1H3,(H,24,25)