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

Systemtic Name: 3-[(3R)-1-(2-chloranylpyridin-4-yl)carbonylpiperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(2-chloropyridine-4-carbonyl)-3-piperidyl]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(3R)-1-[(2-chloro-4-pyridinyl)-oxomethyl]-3-piperidinyl]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-(2-chloropyridine-4-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(2-chloroisonicotinoyl)-3-piperidyl]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C23H28ClN5O2 MolecularWeight: 441.95372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=NC=C2)Cl)CCC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN5O2/c24-20-16-19(8-10-25-20)23(31)29-11-3-4-18(17-29)6-7-22(30)28-14-12-27(13-15-28)21-5-1-2-9-26-21/h1-2,5,8-10,16,18H,3-4,6-7,11-15,17H2/t18-/m1/s1