3-(4-methoxyphenyl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3-(4-methoxyphenyl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-(4-methoxyphenyl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]pyrazole-4-carboxamide CAS Name: 3-(4-methoxyphenyl)-N-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(4-methoxyphenyl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-(4-methoxyphenyl)-N-methyl-pyrazole-4-carboxamide Formula: C26H32N5O3+ MolecularWeight: 462.56398

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN(C)C(=O)C2=CN(N=C2C3=CC=C(C=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN(C)C(=O)C2=CN(N=C2C3=CC=C(C=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O3/c1-28-13-15-30(16-14-28)24(32)19-29(2)26(33)23-18-31(17-20-7-5-4-6-8-20)27-25(23)21-9-11-22(34-3)12-10-21/h4-12,18H,13-17,19H2,1-3H3/p+1