N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-4-methoxy-1-phenyl-3-pyrazolecarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-4-methoxy-1-phenylpyrazole-3-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide Formula: C24H30N5O2+ MolecularWeight: 420.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=NN(C=C3OC)C4=CC=CC=C4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=NN(C=C3OC)C4=CC=CC=C4)C

InChI

InChI=1S/C24H29N5O2/c1-4-27-12-14-28(15-13-27)20-10-11-21(18(2)16-20)25-24(30)23-22(31-3)17-29(26-23)19-8-6-5-7-9-19/h5-11,16-17H,4,12-15H2,1-3H3,(H,25,30)/p+1