1,3-diphenyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide

Systemtic Name: 1,3-diphenyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide Openeye Name: 1,3-diphenyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide CAS Name: 1,3-diphenyl-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-4-pyrazolecarboxamide IUPAC Name: 1,3-diphenyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide Traditional Name: 1,3-diphenyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide Formula: C28H30N5O+ MolecularWeight: 452.5707

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N5O/c34-28(29-16-17-31-18-20-32(21-19-31)24-12-6-2-7-13-24)26-22-33(25-14-8-3-9-15-25)30-27(26)23-10-4-1-5-11-23/h1-15,22H,16-21H2,(H,29,34)/p+1