N-[2-(1-adamantyl)-1H-pyrazol-2-ium-4-yl]-3-(1-ethyl-5-methyl-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: N-[2-(1-adamantyl)-1H-pyrazol-2-ium-4-yl]-3-(1-ethyl-5-methyl-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: N-[2-(1-adamantyl)-1H-pyrazol-2-ium-4-yl]-3-(1-ethyl-5-methyl-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxamide CAS Name: N-[2-(1-adamantyl)-1H-pyrazol-2-ium-4-yl]-3-(1-ethyl-5-methyl-4-pyrazolyl)-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: N-[2-(1-adamantyl)-1H-pyrazol-2-ium-4-yl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: N-[2-(1-adamantyl)-1H-pyrazol-2-ium-4-yl]-3-(1-ethyl-5-methyl-pyrazol-4-yl)-2-isoxazoline-5-carboxamide Formula: C23H31N6O2+ MolecularWeight: 423.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C2=NOC(C2)C(=O)NC3=CN[N+](=C3)C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CCN1C(=C(C=N1)C2=NOC(C2)C(=O)NC3=CN[N+](=C3)C45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C23H30N6O2/c1-3-28-14(2)19(12-24-28)20-7-21(31-27-20)22(30)26-18-11-25-29(13-18)23-8-15-4-16(9-23)6-17(5-15)10-23/h11-13,15-17,21H,3-10H2,1-2H3,(H,26,30)/p+1