4-[5-phenyl-2-(phenylmethyl)-2H-1,3-benzoxazol-3-yl]butan-2-one bromide

Systemtic Name: 4-[5-phenyl-2-(phenylmethyl)-2H-1,3-benzoxazol-3-yl]butan-2-one bromide Openeye Name: 4-(2-benzyl-5-phenyl-2H-1,3-benzoxazol-3-yl)butan-2-one bromide CAS Name: 4-[5-phenyl-2-(phenylmethyl)-2H-1,3-benzoxazol-3-yl]-2-butanone bromide IUPAC Name: 4-(2-benzyl-5-phenyl-2H-1,3-benzoxazol-3-yl)butan-2-one bromide Traditional Name: 4-(2-benzyl-5-phenyl-2H-1,3-benzoxazol-3-yl)butan-2-one bromide Formula: C24H23BrNO2- MolecularWeight: 437.34892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C(OC2=C1C=C(C=C2)C3=CC=CC=C3)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

CC(=O)CCN1C(OC2=C1C=C(C=C2)C3=CC=CC=C3)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C24H23NO2.BrH/c1-18(26)14-15-25-22-17-21(20-10-6-3-7-11-20)12-13-23(22)27-24(25)16-19-8-4-2-5-9-19;/h2-13,17,24H,14-16H2,1H3;1H/p-1