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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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