(E)-3-(1-methylpyrazol-4-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1-methylpyrazol-4-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-methylpyrazol-4-yl)-1-[4-(2-pyridylmethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1-methyl-4-pyrazolyl)-1-[4-(2-pyridinylmethyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1-methylpyrazol-4-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1-methylpyrazol-4-yl)-1-[4-(2-pyridylmethyl)piperazino]prop-2-en-1-one Formula: C17H21N5O MolecularWeight: 311.38154

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)N2CCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)N2CCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C17H21N5O/c1-20-13-15(12-19-20)5-6-17(23)22-10-8-21(9-11-22)14-16-4-2-3-7-18-16/h2-7,12-13H,8-11,14H2,1H3/b6-5+