1-[3-[[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[3-[[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[[3-(1-pyrimidin-2-yl-4-piperidyl)pyrrolidin-1-yl]methyl]phenyl]ethanone CAS Name: 1-[3-[[3-[1-(2-pyrimidinyl)-4-piperidinyl]-1-pyrrolidinyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[3-[[3-[1-(2-pyrimidyl)-4-piperidyl]pyrrolidino]methyl]phenyl]ethanone Formula: C22H28N4O MolecularWeight: 364.48392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)CN2CCC(C2)C3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)CN2CCC(C2)C3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H28N4O/c1-17(27)20-5-2-4-18(14-20)15-25-11-6-21(16-25)19-7-12-26(13-8-19)22-23-9-3-10-24-22/h2-5,9-10,14,19,21H,6-8,11-13,15-16H2,1H3