N-[1-(1-adamantyl)propyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide Openeye Name: N-[1-(1-adamantyl)propyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide CAS Name: N-[1-(1-adamantyl)propyl]-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methylpropanamide IUPAC Name: N-[1-(1-adamantyl)propyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanamide Traditional Name: N-[1-(1-adamantyl)propyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propionamide Formula: C22H34N4O3 MolecularWeight: 402.53036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C(C)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C(C)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H34N4O3/c1-5-19(22-9-16-6-17(10-22)8-18(7-16)11-22)23-21(27)13(2)12-25-15(4)20(26(28)29)14(3)24-25/h13,16-19H,5-12H2,1-4H3,(H,23,27)