2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]-N-phenyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]-N-phenyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]-N-phenyl-acetamide CAS Name: 2-[5-methyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-pyrazolyl]-N-phenyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]-N-phenylacetamide Traditional Name: N-benzyl-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]-N-phenyl-acetamide Formula: C25H30N5O2+ MolecularWeight: 432.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C25H29N5O2/c1-20-17-23(25(32)28-15-13-27(2)14-16-28)26-30(20)19-24(31)29(22-11-7-4-8-12-22)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18-19H2,1-2H3/p+1