N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-1-phenyl-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-1-phenyl-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C26H32N5O2+ MolecularWeight: 446.56458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)[NH+]5CCOCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)[NH+]5CCOCC5

InChI

InChI=1S/C26H31N5O2/c32-25(28-20-26(11-5-2-6-12-26)30-14-16-33-17-15-30)23-19-31(22-9-3-1-4-10-22)29-24(23)21-8-7-13-27-18-21/h1,3-4,7-10,13,18-19H,2,5-6,11-12,14-17,20H2,(H,28,32)/p+1