[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methanone

Systemtic Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methanone CAS Name: [4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methanone Formula: C28H28N5O+ MolecularWeight: 450.55482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N5O/c34-28(32-19-17-31(18-20-32)16-8-11-23-9-3-1-4-10-23)26-22-33(25-13-5-2-6-14-25)30-27(26)24-12-7-15-29-21-24/h1-15,21-22H,16-20H2/p+1/b11-8+