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

Systemtic Name: 1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)pyrazole-4-carboxamide Openeye Name: 1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)pyrazole-4-carboxamide CAS Name: 1-[4-(2-benzofuranyl)-2-pyrimidinyl]-5-cyclopropyl-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-4-pyrazolecarboxamide IUPAC Name: 1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Traditional Name: 1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)pyrazole-4-carboxamide Formula: C27H31N6O3+ MolecularWeight: 487.57344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC4=CC=CC=C4O3)C5CC5)[NH+]6CCOCC6

Isomeric SMILES

CC(C)(CNC(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC4=CC=CC=C4O3)C5CC5)[NH+]6CCOCC6

InChI

InChI=1S/C27H30N6O3/c1-27(2,32-11-13-35-14-12-32)17-29-25(34)20-16-30-33(24(20)18-7-8-18)26-28-10-9-21(31-26)23-15-19-5-3-4-6-22(19)36-23/h3-6,9-10,15-16,18H,7-8,11-14,17H2,1-2H3,(H,29,34)/p+1