1-(4-bromophenyl)-4-[4-(phenylmethyl)piperidin-1-yl]butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-[4-(phenylmethyl)piperidin-1-yl]butan-1-one Openeye Name: 4-(4-benzyl-1-piperidyl)-1-(4-bromophenyl)butan-1-one CAS Name: 1-(4-bromophenyl)-4-[4-(phenylmethyl)-1-piperidinyl]-1-butanone IUPAC Name: 4-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)butan-1-one Traditional Name: 4-(4-benzylpiperidino)-1-(4-bromophenyl)butan-1-one Formula: C22H26BrNO MolecularWeight: 400.35194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H26BrNO/c23-21-10-8-20(9-11-21)22(25)7-4-14-24-15-12-19(13-16-24)17-18-5-2-1-3-6-18/h1-3,5-6,8-11,19H,4,7,12-17H2