1-(4-bromophenyl)-4-[4-(4-methylphenyl)carbonyl-4-oxidanyl-piperidin-1-yl]butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-[4-(4-methylphenyl)carbonyl-4-oxidanyl-piperidin-1-yl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[4-hydroxy-4-(4-methylbenzoyl)-1-piperidyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[4-hydroxy-4-[(4-methylphenyl)-oxomethyl]-1-piperidinyl]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[4-hydroxy-4-(4-methylbenzoyl)piperidin-1-yl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-(4-hydroxy-4-p-toluoyl-piperidino)butan-1-one Formula: C23H26BrNO3 MolecularWeight: 444.36144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)Br)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C23H26BrNO3/c1-17-4-6-19(7-5-17)22(27)23(28)12-15-25(16-13-23)14-2-3-21(26)18-8-10-20(24)11-9-18/h4-11,28H,2-3,12-16H2,1H3