2-azanyl-3-[3,5-bis(bromanyl)-4-methyl-phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one

Systemtic Name: 2-azanyl-3-[3,5-bis(bromanyl)-4-methyl-phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one Openeye Name: 2-amino-3-(3,5-dibromo-4-methyl-phenyl)-1-[4-(1-methyl-4-piperidyl)-1-piperidyl]propan-1-one CAS Name: 2-amino-3-(3,5-dibromo-4-methylphenyl)-1-[4-(1-methyl-4-piperidinyl)-1-piperidinyl]-1-propanone IUPAC Name: 2-amino-3-(3,5-dibromo-4-methylphenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one Traditional Name: 2-amino-3-(3,5-dibromo-4-methyl-phenyl)-1-[4-(1-methyl-4-piperidyl)piperidino]propan-1-one Formula: C21H31Br2N3O MolecularWeight: 501.29834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Br)CC(C(=O)N2CCC(CC2)C3CCN(CC3)C)N)Br

Isomeric SMILES

CC1=C(C=C(C=C1Br)CC(C(=O)N2CCC(CC2)C3CCN(CC3)C)N)Br

InChI

InChI=1S/C21H31Br2N3O/c1-14-18(22)11-15(12-19(14)23)13-20(24)21(27)26-9-5-17(6-10-26)16-3-7-25(2)8-4-16/h11-12,16-17,20H,3-10,13,24H2,1-2H3