(E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide

Systemtic Name: (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide Openeye Name: (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide CAS Name: (E)-3-[3-(2-methoxyphenyl)-1-phenyl-4-pyrazolyl]-N-(4-methyl-1-piperazin-4-iumyl)-2-propenamide IUPAC Name: (E)-3-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide Traditional Name: (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)acrylamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C=CC2=CN(N=C2C3=CC=CC=C3OC)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3OC)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-27-14-16-28(17-15-27)25-23(30)13-12-19-18-29(20-8-4-3-5-9-20)26-24(19)21-10-6-7-11-22(21)31-2/h3-13,18H,14-17H2,1-2H3,(H,25,30)/p+1/b13-12+