N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O2/c27-21(23-9-10-25-11-13-28-14-12-25)19-16-26(18-6-2-1-3-7-18)24-20(19)17-5-4-8-22-15-17/h1-8,15-16H,9-14H2,(H,23,27)/p+1