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

Systemtic Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylpiperazin-4-ium-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylpiperazin-4-ium-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-(4-methylpiperazin-4-ium-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylpiperazin-4-ium-1-carbonyl)acrylonitrile Formula: C25H26N5O2+ MolecularWeight: 428.50624

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C25H25N5O2/c1-28-12-14-29(15-13-28)25(31)20(17-26)16-21-18-30(22-6-4-3-5-7-22)27-24(21)19-8-10-23(32-2)11-9-19/h3-11,16,18H,12-15H2,1-2H3/p+1/b20-16+