6-[(3S)-1-[(1-methyl-5-phenyl-pyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[(3S)-1-[(1-methyl-5-phenyl-pyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrimidin-4-one Openeye Name: 6-[(3S)-1-[(1-methyl-5-phenyl-pyrazol-4-yl)methyl]-3-piperidyl]-1H-pyrimidin-4-one CAS Name: 6-[(3S)-1-[(1-methyl-5-phenyl-4-pyrazolyl)methyl]-3-piperidinyl]-1H-pyrimidin-4-one IUPAC Name: 6-[(3S)-1-[(1-methyl-5-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrimidin-4-one Traditional Name: 6-[(3S)-1-[(1-methyl-5-phenyl-pyrazol-4-yl)methyl]-3-piperidyl]-1H-pyrimidin-4-one Formula: C20H23N5O MolecularWeight: 349.42952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)CN2CCCC(C2)C3=CC(=O)N=CN3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=C(C=N1)CN2CCC[C@@H](C2)C3=CC(=O)N=CN3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N5O/c1-24-20(15-6-3-2-4-7-15)17(11-23-24)13-25-9-5-8-16(12-25)18-10-19(26)22-14-21-18/h2-4,6-7,10-11,14,16H,5,8-9,12-13H2,1H3,(H,21,22,26)/t16-/m0/s1