1-[3-bromanyl-2-oxidanyl-4-[4-(2-pyridin-2-ylbenzimidazol-1-yl)butoxy]phenyl]-3-methyl-butan-1-one

Systemtic Name: 1-[3-bromanyl-2-oxidanyl-4-[4-(2-pyridin-2-ylbenzimidazol-1-yl)butoxy]phenyl]-3-methyl-butan-1-one Openeye Name: 1-[3-bromo-2-hydroxy-4-[4-[2-(2-pyridyl)benzimidazol-1-yl]butoxy]phenyl]-3-methyl-butan-1-one CAS Name: 1-[3-bromo-2-hydroxy-4-[4-[2-(2-pyridinyl)-1-benzimidazolyl]butoxy]phenyl]-3-methyl-1-butanone IUPAC Name: 1-[3-bromo-2-hydroxy-4-[4-(2-pyridin-2-ylbenzimidazol-1-yl)butoxy]phenyl]-3-methylbutan-1-one Traditional Name: 1-[3-bromo-2-hydroxy-4-[4-[2-(2-pyridyl)benzimidazol-1-yl]butoxy]phenyl]-3-methyl-butan-1-one Formula: C27H28BrN3O3 MolecularWeight: 522.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(C(=C(C=C1)OCCCCN2C3=CC=CC=C3N=C2C4=CC=CC=N4)Br)O

Isomeric SMILES

CC(C)CC(=O)C1=C(C(=C(C=C1)OCCCCN2C3=CC=CC=C3N=C2C4=CC=CC=N4)Br)O

InChI

InChI=1S/C27H28BrN3O3/c1-18(2)17-23(32)19-12-13-24(25(28)26(19)33)34-16-8-7-15-31-22-11-4-3-9-20(22)30-27(31)21-10-5-6-14-29-21/h3-6,9-14,18,33H,7-8,15-17H2,1-2H3