N-[2-(4-fluorophenyl)-5-methyl-pyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(4-fluorophenyl)-5-methyl-pyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(4-fluorophenyl)-5-methyl-pyrazol-3-yl]-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(4-fluorophenyl)-5-methyl-3-pyrazolyl]-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(4-fluorophenyl)-5-methyl-pyrazol-3-yl]-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C24H31FN7O+ MolecularWeight: 452.547643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)NC3=CC(=NN3C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)NC3=CC(=NN3C4=CC=C(C=C4)F)C

InChI

InChI=1S/C24H30FN7O/c1-16(2)24-26-17(3)13-21(28-24)31-11-9-30(10-12-31)15-23(33)27-22-14-18(4)29-32(22)20-7-5-19(25)6-8-20/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,27,33)/p+1