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

Systemtic Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide Openeye Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]propionamide Formula: C26H34N5O+ MolecularWeight: 432.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C26H33N5O/c1-4-29-16-18-30(19-17-29)23-12-10-22(11-13-23)27-26(32)15-14-25-20(2)28-31(21(25)3)24-8-6-5-7-9-24/h5-13H,4,14-19H2,1-3H3,(H,27,32)/p+1