5-methyl-1-(4-pyridin-3-ylpyrimidin-2-yl)-N-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]pyrazole-4-carboxamide

Systemtic Name: 5-methyl-1-(4-pyridin-3-ylpyrimidin-2-yl)-N-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]pyrazole-4-carboxamide Openeye Name: 5-methyl-1-[4-(3-pyridyl)pyrimidin-2-yl]-N-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]pyrazole-4-carboxamide CAS Name: 5-methyl-1-[4-(3-pyridinyl)-2-pyrimidinyl]-N-[3-(1-pyrrolidin-1-iumylmethyl)phenyl]-4-pyrazolecarboxamide IUPAC Name: 5-methyl-1-(4-pyridin-3-ylpyrimidin-2-yl)-N-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]pyrazole-4-carboxamide Traditional Name: 5-methyl-1-[4-(3-pyridyl)pyrimidin-2-yl]-N-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]pyrazole-4-carboxamide Formula: C25H26N7O+ MolecularWeight: 440.52024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CN=CC=C3)C(=O)NC4=CC=CC(=C4)C[NH+]5CCCC5

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CN=CC=C3)C(=O)NC4=CC=CC(=C4)C[NH+]5CCCC5

InChI

InChI=1S/C25H25N7O/c1-18-22(24(33)29-21-8-4-6-19(14-21)17-31-12-2-3-13-31)16-28-32(18)25-27-11-9-23(30-25)20-7-5-10-26-15-20/h4-11,14-16H,2-3,12-13,17H2,1H3,(H,29,33)/p+1