[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O2/c1-3-13-26-14-16-27(17-15-26)24(29)22-18-28(20-7-5-4-6-8-20)25-23(22)19-9-11-21(30-2)12-10-19/h4-12,18H,3,13-17H2,1-2H3/p+1