N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-phenyl-5-(2,4,5-trimethylphenyl)-3-pyrazolyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C28H32N7O+ MolecularWeight: 482.59998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5)C)C

InChI

InChI=1S/C28H31N7O/c1-20-16-22(3)24(17-21(20)2)25-18-26(35(32-25)23-8-5-4-6-9-23)31-27(36)19-33-12-14-34(15-13-33)28-29-10-7-11-30-28/h4-11,16-18H,12-15,19H2,1-3H3,(H,31,36)/p+1