3-[(3R)-1-[2-(dimethylamino)phenyl]carbonylpiperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-[2-(dimethylamino)phenyl]carbonylpiperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-[2-(dimethylamino)benzoyl]-3-piperidyl]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(3R)-1-[[2-(dimethylamino)phenyl]-oxomethyl]-3-piperidinyl]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-[2-(dimethylamino)benzoyl]-3-piperidyl]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C26H35N5O2 MolecularWeight: 449.5884

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC=C1C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CN(C)C1=CC=CC=C1C(=O)N2CCC[C@@H](C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C26H35N5O2/c1-28(2)23-10-4-3-9-22(23)26(33)31-15-7-8-21(20-31)12-13-25(32)30-18-16-29(17-19-30)24-11-5-6-14-27-24/h3-6,9-11,14,21H,7-8,12-13,15-20H2,1-2H3/t21-/m1/s1