6-[1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperidin-3-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperidin-3-yl]-1H-pyrimidin-4-one Openeye Name: 6-[1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-3-piperidyl]-1H-pyrimidin-4-one CAS Name: 6-[1-[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]-3-piperidinyl]-1H-pyrimidin-4-one IUPAC Name: 6-[1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperidin-3-yl]-1H-pyrimidin-4-one Traditional Name: 6-[1-[(E)-3-(1-methylpyrazol-4-yl)acryloyl]-3-piperidyl]-1H-pyrimidin-4-one Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)N2CCCC(C2)C3=CC(=O)N=CN3

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)N2CCCC(C2)C3=CC(=O)N=CN3

InChI

InChI=1S/C16H19N5O2/c1-20-9-12(8-19-20)4-5-16(23)21-6-2-3-13(10-21)14-7-15(22)18-11-17-14/h4-5,7-9,11,13H,2-3,6,10H2,1H3,(H,17,18,22)/b5-4+