1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-methyl-pyrazole-4-carboxamide

Systemtic Name: 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-methyl-pyrazole-4-carboxamide Openeye Name: 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(4-chlorophenyl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-5-methyl-4-pyrazolecarboxamide IUPAC Name: 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-5-methylpyrazole-4-carboxamide Traditional Name: 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-methyl-pyrazole-4-carboxamide Formula: C24H29ClN5O+ MolecularWeight: 438.97296

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=C(N(N=C3)C4=CC=C(C=C4)Cl)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=C(N(N=C3)C4=CC=C(C=C4)Cl)C)C

InChI

InChI=1S/C24H28ClN5O/c1-4-28-11-13-29(14-12-28)21-9-10-23(17(2)15-21)27-24(31)22-16-26-30(18(22)3)20-7-5-19(25)6-8-20/h5-10,15-16H,4,11-14H2,1-3H3,(H,27,31)/p+1