(E)-1-(4-ethylpiperazin-4-ium-1-yl)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-ethylpiperazin-4-ium-1-yl)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-ethylpiperazin-4-ium-1-yl)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-(4-ethyl-1-piperazin-4-iumyl)-3-[3-(2-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-1-(4-ethylpiperazin-4-ium-1-yl)-3-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one Traditional Name: (E)-1-(4-ethylpiperazin-4-ium-1-yl)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O2/c1-3-27-15-17-28(18-16-27)24(30)14-13-20-19-29(21-9-5-4-6-10-21)26-25(20)22-11-7-8-12-23(22)31-2/h4-14,19H,3,15-18H2,1-2H3/p+1/b14-13+