N-(1-adamantylmethyl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide

Systemtic Name: N-(1-adamantylmethyl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide Openeye Name: N-(1-adamantylmethyl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide CAS Name: N-(1-adamantylmethyl)-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methylpropanamide IUPAC Name: N-(1-adamantylmethyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanamide Traditional Name: N-(1-adamantylmethyl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propionamide Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)NCC23CC4CC(C2)CC(C4)C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(C)C(=O)NCC23CC4CC(C2)CC(C4)C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H30N4O3/c1-12(10-23-14(3)18(24(26)27)13(2)22-23)19(25)21-11-20-7-15-4-16(8-20)6-17(5-15)9-20/h12,15-17H,4-11H2,1-3H3,(H,21,25)