1-(3-chlorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-5-propan-2-yl-pyrazole-4-carboxamide

Systemtic Name: 1-(3-chlorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-5-propan-2-yl-pyrazole-4-carboxamide Openeye Name: 1-(3-chlorophenyl)-5-isopropyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]pyrazole-4-carboxamide CAS Name: 1-(3-chlorophenyl)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-5-propan-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-(3-chlorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-5-propan-2-ylpyrazole-4-carboxamide Traditional Name: 1-(3-chlorophenyl)-5-isopropyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]pyrazole-4-carboxamide Formula: C23H28ClN6O+ MolecularWeight: 439.96102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H27ClN6O/c1-16(2)22-20(15-26-30(22)19-6-4-5-17(24)13-19)23(31)27-18-7-8-21(25-14-18)29-11-9-28(3)10-12-29/h4-8,13-16H,9-12H2,1-3H3,(H,27,31)/p+1