2-methyl-6-[(3S)-1-(4-pyrazol-1-ylphenyl)carbonylpiperidin-3-yl]-1H-pyrimidin-4-one

Systemtic Name: 2-methyl-6-[(3S)-1-(4-pyrazol-1-ylphenyl)carbonylpiperidin-3-yl]-1H-pyrimidin-4-one Openeye Name: 2-methyl-6-[(3S)-1-(4-pyrazol-1-ylbenzoyl)-3-piperidyl]-1H-pyrimidin-4-one CAS Name: 2-methyl-6-[(3S)-1-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-3-piperidinyl]-1H-pyrimidin-4-one IUPAC Name: 2-methyl-6-[(3S)-1-(4-pyrazol-1-ylbenzoyl)piperidin-3-yl]-1H-pyrimidin-4-one Traditional Name: 2-methyl-6-[(3S)-1-(4-pyrazol-1-ylbenzoyl)-3-piperidyl]-1H-pyrimidin-4-one Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C=C(N1)C2CCCN(C2)C(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=NC(=O)C=C(N1)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H21N5O2/c1-14-22-18(12-19(26)23-14)16-4-2-10-24(13-16)20(27)15-5-7-17(8-6-15)25-11-3-9-21-25/h3,5-9,11-12,16H,2,4,10,13H2,1H3,(H,22,23,26)/t16-/m0/s1