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

Systemtic Name: (E)-3-(1-methylpyrazol-4-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-methylpyrazol-4-yl)-1-[4-(3-pyridylmethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1-methyl-4-pyrazolyl)-1-[4-(3-pyridinylmethyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1-methylpyrazol-4-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1-methylpyrazol-4-yl)-1-[4-(3-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=CN=CC=C3

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)N2CCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C17H21N5O/c1-20-13-16(12-19-20)4-5-17(23)22-9-7-21(8-10-22)14-15-3-2-6-18-11-15/h2-6,11-13H,7-10,14H2,1H3/b5-4+