(2S)-2-[4-[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-[3-(o-tolyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-2-[4-[[3-(2-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-2-[4-[3-(o-tolyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C29H30N5O2+ MolecularWeight: 480.5808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C(=O)N)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)N3CC[NH+](CC3)[C@@H](C4=CC=CC=C4)C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C29H29N5O2/c1-21-10-8-9-15-24(21)26-25(20-34(31-26)23-13-6-3-7-14-23)29(36)33-18-16-32(17-19-33)27(28(30)35)22-11-4-2-5-12-22/h2-15,20,27H,16-19H2,1H3,(H2,30,35)/p+1/t27-/m0/s1