(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-phenyl-3-(3-pyridyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-phenyl-3-(3-pyridyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C22H26N5O+ MolecularWeight: 376.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O/c1-2-11-25-12-14-26(15-13-25)22(28)20-17-27(19-8-4-3-5-9-19)24-21(20)18-7-6-10-23-16-18/h3-10,16-17H,2,11-15H2,1H3/p+1