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

Systemtic Name: (E)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C27H27N6O+ MolecularWeight: 451.54288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C=CC3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)/C=C/C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N6O/c34-26(32-17-15-31(16-18-32)20-22-10-13-28-14-11-22)9-8-24-21-33(25-6-2-1-3-7-25)30-27(24)23-5-4-12-29-19-23/h1-14,19,21H,15-18,20H2/p+1/b9-8+