1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide

Systemtic Name: 1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Openeye Name: 1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide CAS Name: 1-[4-(2-benzofuranyl)-2-pyrimidinyl]-5-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-4-pyrazolecarboxamide IUPAC Name: 1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Traditional Name: 1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Formula: C23H25N6O3+ MolecularWeight: 433.483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC4=CC=CC=C4O3)C(=O)NCC[NH+]5CCOCC5

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC4=CC=CC=C4O3)C(=O)NCC[NH+]5CCOCC5

InChI

InChI=1S/C23H24N6O3/c1-16-18(22(30)24-8-9-28-10-12-31-13-11-28)15-26-29(16)23-25-7-6-19(27-23)21-14-17-4-2-3-5-20(17)32-21/h2-7,14-15H,8-13H2,1H3,(H,24,30)/p+1