6-[1-[(1-methyl-5-phenyl-pyrazol-4-yl)methyl]piperidin-4-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[1-[(1-methyl-5-phenyl-pyrazol-4-yl)methyl]piperidin-4-yl]-1H-pyrimidin-4-one Openeye Name: 6-[1-[(1-methyl-5-phenyl-pyrazol-4-yl)methyl]-4-piperidyl]-1H-pyrimidin-4-one CAS Name: 6-[1-[(1-methyl-5-phenyl-4-pyrazolyl)methyl]-4-piperidinyl]-1H-pyrimidin-4-one IUPAC Name: 6-[1-[(1-methyl-5-phenylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-pyrimidin-4-one Traditional Name: 6-[1-[(1-methyl-5-phenyl-pyrazol-4-yl)methyl]-4-piperidyl]-1H-pyrimidin-4-one Formula: C20H23N5O MolecularWeight: 349.42952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)CN2CCC(CC2)C3=CC(=O)N=CN3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=C(C=N1)CN2CCC(CC2)C3=CC(=O)N=CN3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N5O/c1-24-20(16-5-3-2-4-6-16)17(12-23-24)13-25-9-7-15(8-10-25)18-11-19(26)22-14-21-18/h2-6,11-12,14-15H,7-10,13H2,1H3,(H,21,22,26)