N-[2-(1-adamantyl)ethyl]-3-[(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

Systemtic Name: N-[2-(1-adamantyl)ethyl]-3-[(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide Openeye Name: N-[2-(1-adamantyl)ethyl]-3-[(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide CAS Name: N-[2-(1-adamantyl)ethyl]-3-[(4-bromo-5-methyl-3-nitro-1-pyrazolyl)methyl]-1,2,4-oxadiazole-5-carboxamide IUPAC Name: N-[2-(1-adamantyl)ethyl]-3-[(4-bromo-5-methyl-3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide Traditional Name: N-[2-(1-adamantyl)ethyl]-3-[(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide Formula: C20H25BrN6O4 MolecularWeight: 493.3543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NOC(=N2)C(=O)NCCC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC2=NOC(=N2)C(=O)NCCC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])Br

InChI

InChI=1S/C20H25BrN6O4/c1-11-16(21)17(27(29)30)24-26(11)10-15-23-19(31-25-15)18(28)22-3-2-20-7-12-4-13(8-20)6-14(5-12)9-20/h12-14H,2-10H2,1H3,(H,22,28)