N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenyl-pyrazole-4-carboxamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-phenyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenyl-pyrazole-4-carboxamide Formula: C28H30N5O+ MolecularWeight: 452.5707

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O/c1-31-16-18-32(19-17-31)26-15-9-8-14-25(26)29-28(34)24-21-33(20-22-10-4-2-5-11-22)30-27(24)23-12-6-3-7-13-23/h2-15,21H,16-20H2,1H3,(H,29,34)/p+1