4-methyl-N-[2-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrazol-3-yl]benzamide

Systemtic Name: 4-methyl-N-[2-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrazol-3-yl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-phenyl-pyrazol-3-yl]-4-methyl-benzamide CAS Name: 4-methyl-N-[4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2-phenyl-3-pyrazolyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-phenylpyrazol-3-yl]-4-methylbenzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-phenyl-pyrazol-3-yl]-4-methyl-benzamide Formula: C29H30N5O2+ MolecularWeight: 480.5808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C=NN2C3=CC=CC=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C=NN2C3=CC=CC=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N5O2/c1-22-12-14-24(15-13-22)28(35)31-27-26(20-30-34(27)25-10-6-3-7-11-25)29(36)33-18-16-32(17-19-33)21-23-8-4-2-5-9-23/h2-15,20H,16-19,21H2,1H3,(H,31,35)/p+1