3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]propanamide

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]propionamide Formula: C24H35N6O+ MolecularWeight: 423.5743

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CCC3=C(N(N=C3C)CCC#N)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CCC3=C(N(N=C3C)CCC#N)C)C

InChI

InChI=1S/C24H34N6O/c1-5-28-13-15-29(16-14-28)23-9-7-21(17-18(23)2)26-24(31)10-8-22-19(3)27-30(20(22)4)12-6-11-25/h7,9,17H,5-6,8,10,12-16H2,1-4H3,(H,26,31)/p+1