3-(4-azanylcyclohexyl)-1-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]propan-1-one

Systemtic Name: 3-(4-azanylcyclohexyl)-1-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]propan-1-one Openeye Name: 3-(4-aminocyclohexyl)-1-[4-[(2-bromo-5-methoxy-phenyl)methyl]-1-piperidyl]propan-1-one CAS Name: 3-(4-aminocyclohexyl)-1-[4-[(2-bromo-5-methoxyphenyl)methyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-(4-aminocyclohexyl)-1-[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]propan-1-one Traditional Name: 3-(4-aminocyclohexyl)-1-[4-(2-bromo-5-methoxy-benzyl)piperidino]propan-1-one Formula: C22H33BrN2O2 MolecularWeight: 437.41362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)C(=O)CCC3CCC(CC3)N

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)C(=O)CCC3CCC(CC3)N

InChI

InChI=1S/C22H33BrN2O2/c1-27-20-7-8-21(23)18(15-20)14-17-10-12-25(13-11-17)22(26)9-4-16-2-5-19(24)6-3-16/h7-8,15-17,19H,2-6,9-14,24H2,1H3