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

Systemtic Name: 4-[7-bromanyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-4-oxo-butanoic acid CAS Name: 4-[7-bromo-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-4-oxobutanoic acid Traditional Name: 4-[3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-4-keto-butyric acid Formula: C24H25BrN4O3 MolecularWeight: 497.3843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25BrN4O3/c25-19-6-7-22-18(11-19)13-29(23(30)8-9-24(31)32)21(10-17-4-2-1-3-5-17)15-28(22)14-20-12-26-16-27-20/h1-7,11-12,16,21H,8-10,13-15H2,(H,26,27)(H,31,32)