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Reference substances

IUPAC name:
2-[1-(2-{4-[2-(5,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]phenyl}ethyl)piperidin-4-yl]-1H-1,3-benzodiazole

Inventory

CAS number:
202189-81-9
Synonyms
Names:
Identifier:
IUPAC name
2-[2-[4-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]phenyl]propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole
Identifier:
other:
2-(1-(4-(2-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl)phenylethyl)piperidin-4-yl)-1Hbenzimidazole
Identifier:
other: SMILES notation
CC1(COC(=N1)C(C)(C)C2=CC=C(C=C2)CCN3CCC(CC3)C4=NC5=CC=CC=C5N4)C
Identifier:
other: InChl
InChI=1S/C28H36N4O/c1-27(2)19-33-26(31-27)28(3,4)22-11-9-20(10-12-22)13-16-32-17-14-21(15-18-32)25-29-23-7-5-6-8-24(23)30-25/h5-12,21H,13-19H2,1-4H3,(H,29,30)
2-[1-(2-{4-[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]phenyl}ethyl)piperidin-4-yl]-1H-1,3-benzodiazole

Molecular and structural information

Molecular formula:
C28H36N4O
Molecular weight:
444.61
SMILES notation:
CC(C)(C1=NC(C)(C)CO1)c5ccc(CCN2CCC(CC2)c3nc4ccccc4n3)cc5
InChl:
InChI=1/C28H36N4O/c1-27(2)19-33-26(31-27)28(3,4)22-11-9-20(10-12-22)13-16-32-17-14-21(15-18-32)25-29-23-7-5-6-8-24(23)30-25/h5-12,21H,13-19H2,1-4H3,(H,29,30)
Structural formula:
Chemical structure

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