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

Systemtic Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)methanone CAS Name: (5-cyclopropyl-2-phenyl-3-pyrazolyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-cyclopropyl-2-phenylpyrazol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)methanone Formula: C26H29N4O+ MolecularWeight: 413.53466

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H28N4O/c31-26(25-20-24(22-13-14-22)27-30(25)23-11-5-2-6-12-23)29-18-16-28(17-19-29)15-7-10-21-8-3-1-4-9-21/h1-12,20,22H,13-19H2/p+1/b10-7+