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

Systemtic Name: 2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]-N-(phenylmethyl)-N-propan-2-yl-ethanamide Openeye Name: N-benzyl-N-isopropyl-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetamide CAS Name: 2-[5-methyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-pyrazolyl]-N-(phenylmethyl)-N-propan-2-ylacetamide IUPAC Name: N-benzyl-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]-N-propan-2-ylacetamide Traditional Name: N-benzyl-N-isopropyl-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetamide Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)N(CC2=CC=CC=C2)C(C)C)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)N(CC2=CC=CC=C2)C(C)C)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H31N5O2/c1-17(2)26(15-19-8-6-5-7-9-19)21(28)16-27-18(3)14-20(23-27)22(29)25-12-10-24(4)11-13-25/h5-9,14,17H,10-13,15-16H2,1-4H3/p+1