(3R,5S)-3,5-dimethyl-N-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]adamantane-1-carboxamide

Systemtic Name: (3R,5S)-3,5-dimethyl-N-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]adamantane-1-carboxamide Openeye Name: (3R,5S)-3,5-dimethyl-N-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]adamantane-1-carboxamide CAS Name: (3R,5S)-3,5-dimethyl-N-[2-(5-methyl-3-nitro-1-pyrazolyl)ethyl]-1-adamantanecarboxamide IUPAC Name: (3R,5S)-3,5-dimethyl-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]adamantane-1-carboxamide Traditional Name: (3R,5S)-3,5-dimethyl-N-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]adamantane-1-carboxamide Formula: C19H28N4O3 MolecularWeight: 360.45062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCNC(=O)C23CC4CC(C2)(CC(C4)(C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CCNC(=O)C23CC4C[C@@](C2)(C[C@](C4)(C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O3/c1-13-6-15(23(25)26)21-22(13)5-4-20-16(24)19-9-14-7-17(2,11-19)10-18(3,8-14)12-19/h6,14H,4-5,7-12H2,1-3H3,(H,20,24)/t14?,17-,18+,19?