1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide

Systemtic Name: 1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Openeye Name: 1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide CAS Name: 1-[4-(2-benzofuranyl)-2-pyrimidinyl]-5-cyclopropyl-N-[3-(4-morpholin-4-iumyl)propyl]-4-pyrazolecarboxamide IUPAC Name: 1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Traditional Name: 1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Formula: C26H29N6O3+ MolecularWeight: 473.54686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=NN2C3=NC=CC(=N3)C4=CC5=CC=CC=C5O4)C(=O)NCCC[NH+]6CCOCC6

Isomeric SMILES

C1CC1C2=C(C=NN2C3=NC=CC(=N3)C4=CC5=CC=CC=C5O4)C(=O)NCCC[NH+]6CCOCC6

InChI

InChI=1S/C26H28N6O3/c33-25(27-9-3-11-31-12-14-34-15-13-31)20-17-29-32(24(20)18-6-7-18)26-28-10-8-21(30-26)23-16-19-4-1-2-5-22(19)35-23/h1-2,4-5,8,10,16-18H,3,6-7,9,11-15H2,(H,27,33)/p+1