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

Systemtic Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(4-pyridylmethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1,3-diphenyl-4-pyrazolyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(4-pyridylmethyl)piperazino]prop-2-en-1-one Formula: C28H27N5O MolecularWeight: 449.54688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)C=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)/C=C/C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O/c34-27(32-19-17-31(18-20-32)21-23-13-15-29-16-14-23)12-11-25-22-33(26-9-5-2-6-10-26)30-28(25)24-7-3-1-4-8-24/h1-16,22H,17-21H2/b12-11+