[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-isopropylpiperazin-4-ium-1-yl)-[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone CAS Name: [1-[4-(3-methoxyphenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-(4-propan-2-yl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-isopropylpiperazin-4-ium-1-yl)-[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone Formula: C23H29N6O2+ MolecularWeight: 421.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC(=CC=C3)OC)C(=O)N4CC[NH+](CC4)C(C)C

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC(=CC=C3)OC)C(=O)N4CC[NH+](CC4)C(C)C

InChI

InChI=1S/C23H28N6O2/c1-16(2)27-10-12-28(13-11-27)22(30)20-15-25-29(17(20)3)23-24-9-8-21(26-23)18-6-5-7-19(14-18)31-4/h5-9,14-16H,10-13H2,1-4H3/p+1