[3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [3-(2,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3/c1-4-12-27-13-15-28(16-14-27)25(30)22-18-29(19-8-6-5-7-9-19)26-24(22)21-11-10-20(31-2)17-23(21)32-3/h5-11,17-18H,4,12-16H2,1-3H3/p+1