[1-phenyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-phenyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-(4-isopropylphenyl)-1-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [1-phenyl-3-(4-propan-2-ylphenyl)-4-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-phenyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: (3-p-cumenyl-1-phenyl-pyrazol-4-yl)-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O/c1-4-14-28-15-17-29(18-16-28)26(31)24-19-30(23-8-6-5-7-9-23)27-25(24)22-12-10-21(11-13-22)20(2)3/h5-13,19-20H,4,14-18H2,1-3H3/p+1