(phenylmethyl) 7-bromanyl-4-(1H-imidazol-5-ylmethyl)-2-(phenylmethyl)-2,3-dihydroquinoxaline-1-carboxylate

Systemtic Name: (phenylmethyl) 7-bromanyl-4-(1H-imidazol-5-ylmethyl)-2-(phenylmethyl)-2,3-dihydroquinoxaline-1-carboxylate Openeye Name: benzyl 2-benzyl-7-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxaline-1-carboxylate CAS Name: 7-bromo-4-(1H-imidazol-5-ylmethyl)-2-(phenylmethyl)-2,3-dihydroquinoxaline-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-benzyl-7-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxaline-1-carboxylate Traditional Name: 2-benzyl-7-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxaline-1-carboxylic acid benzyl ester Formula: C27H25BrN4O2 MolecularWeight: 517.417

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=C(N1CC3=CN=CN3)C=CC(=C2)Br)C(=O)OCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C(N(C2=C(N1CC3=CN=CN3)C=CC(=C2)Br)C(=O)OCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25BrN4O2/c28-22-11-12-25-26(14-22)32(27(33)34-18-21-9-5-2-6-10-21)24(13-20-7-3-1-4-8-20)17-31(25)16-23-15-29-19-30-23/h1-12,14-15,19,24H,13,16-18H2,(H,29,30)