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

Systemtic Name: 6-propyl-2-[3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-propyl-2-[3-[[4-(pyrazol-1-ylmethyl)-1-piperidyl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-propyl-2-[3-[[4-(1-pyrazolylmethyl)-1-piperidinyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-propyl-2-[3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-propyl-2-[3-[[4-(pyrazol-1-ylmethyl)piperidino]methyl]phenyl]-1H-pyrimidin-4-one Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)C2=CC(=CC=C2)CN3CCC(CC3)CN4C=CC=N4

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)C2=CC(=CC=C2)CN3CCC(CC3)CN4C=CC=N4

InChI

InChI=1S/C23H29N5O/c1-2-5-21-15-22(29)26-23(25-21)20-7-3-6-19(14-20)16-27-12-8-18(9-13-27)17-28-11-4-10-24-28/h3-4,6-7,10-11,14-15,18H,2,5,8-9,12-13,16-17H2,1H3,(H,25,26,29)