3-(2-methylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(2-methylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-3-(o-tolyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(2-methylphenyl)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(2-methylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-3-(o-tolyl)-1-phenyl-pyrazole-4-carboxamide Formula: C27H29N6O+ MolecularWeight: 453.55876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C)C5=CC=CC=C5

InChI

InChI=1S/C27H28N6O/c1-20-8-6-7-11-23(20)26-24(19-33(30-26)22-9-4-3-5-10-22)27(34)29-21-12-13-25(28-18-21)32-16-14-31(2)15-17-32/h3-13,18-19H,14-17H2,1-2H3,(H,29,34)/p+1