(E)-3-(4-ethanoyl-4-phenyl-piperidin-1-yl)-1-(1-ethyl-3-methyl-pyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-ethanoyl-4-phenyl-piperidin-1-yl)-1-(1-ethyl-3-methyl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-acetyl-4-phenyl-1-piperidyl)-1-(1-ethyl-3-methyl-pyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-3-(4-acetyl-4-phenyl-1-piperidinyl)-1-(1-ethyl-3-methyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(4-acetyl-4-phenylpiperidin-1-yl)-1-(1-ethyl-3-methylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-acetyl-4-phenyl-piperidino)-1-(1-ethyl-3-methyl-pyrazol-4-yl)prop-2-en-1-one Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C(=O)C=CN2CCC(CC2)(C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CCN1C=C(C(=N1)C)C(=O)/C=C/N2CCC(CC2)(C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C22H27N3O2/c1-4-25-16-20(17(2)23-25)21(27)10-13-24-14-11-22(12-15-24,18(3)26)19-8-6-5-7-9-19/h5-10,13,16H,4,11-12,14-15H2,1-3H3/b13-10+