2-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-6-piperidin-4-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-6-piperidin-4-yl-1H-pyrimidin-4-one Openeye Name: 2-[3-[[methyl(3-pyridylmethyl)amino]methyl]phenyl]-6-(4-piperidyl)-1H-pyrimidin-4-one CAS Name: 2-[3-[[methyl(3-pyridinylmethyl)amino]methyl]phenyl]-6-(4-piperidinyl)-1H-pyrimidin-4-one IUPAC Name: 2-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-6-piperidin-4-yl-1H-pyrimidin-4-one Traditional Name: 2-[3-[[methyl(3-pyridylmethyl)amino]methyl]phenyl]-6-(4-piperidyl)-1H-pyrimidin-4-one Formula: C23H27N5O MolecularWeight: 389.49338

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=CC=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CCNCC4

Isomeric SMILES

CN(CC1=CN=CC=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CCNCC4

InChI

InChI=1S/C23H27N5O/c1-28(16-18-5-3-9-25-14-18)15-17-4-2-6-20(12-17)23-26-21(13-22(29)27-23)19-7-10-24-11-8-19/h2-6,9,12-14,19,24H,7-8,10-11,15-16H2,1H3,(H,26,27,29)