(E)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-1-(4-phenyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-1-(4-phenylpiperazino)prop-2-en-1-one Formula: C28H27N5O MolecularWeight: 449.54688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C=CC3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)/C=C/C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H27N5O/c34-27(32-18-16-31(17-19-32)26-11-5-2-6-12-26)14-13-25-22-33(21-23-8-3-1-4-9-23)30-28(25)24-10-7-15-29-20-24/h1-15,20,22H,16-19,21H2/b14-13+