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

Systemtic Name: 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide Openeye Name: 5-cyclopropyl-1-[4-(2-furyl)pyrimidin-2-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-1-[4-(2-furanyl)-2-pyrimidinyl]-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide Traditional Name: 5-cyclopropyl-1-[4-(2-furyl)pyrimidin-2-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide Formula: C26H33N6O3+ MolecularWeight: 477.57862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CO4)C5CC5)[NH+]6CCOCC6

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CO4)C5CC5)[NH+]6CCOCC6

InChI

InChI=1S/C26H32N6O3/c33-24(28-18-26(9-2-1-3-10-26)31-12-15-34-16-13-31)20-17-29-32(23(20)19-6-7-19)25-27-11-8-21(30-25)22-5-4-14-35-22/h4-5,8,11,14,17,19H,1-3,6-7,9-10,12-13,15-16,18H2,(H,28,33)/p+1