[4-(phenylmethyl)piperazin-4-ium-1-yl]-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methanone Formula: C26H26N5O+ MolecularWeight: 424.51754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O/c32-26(30-16-14-29(15-17-30)19-21-8-3-1-4-9-21)24-20-31(23-11-5-2-6-12-23)28-25(24)22-10-7-13-27-18-22/h1-13,18,20H,14-17,19H2/p+1