N-(1-adamantylcarbamoyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O4/c1-10-16(23(26)27)11(2)22(21-10)9-15(24)19-17(25)20-18-6-12-3-13(7-18)5-14(4-12)8-18/h12-14H,3-9H2,1-2H3,(H2,19,20,24,25)