N-[(1S)-1-(1-adamantyl)propyl]-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)propyl]-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[(1S)-1-(1-adamantyl)propyl]-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[(1S)-1-(1-adamantyl)propyl]-1,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[(1S)-1-(1-adamantyl)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[(1S)-1-(1-adamantyl)propyl]-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C19H28N4O3 MolecularWeight: 360.45062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C(=C4[N+](=O)[O-])C)C

Isomeric SMILES

CC[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C(=C4[N+](=O)[O-])C)C

InChI

InChI=1S/C19H28N4O3/c1-4-15(19-8-12-5-13(9-19)7-14(6-12)10-19)20-18(24)16-17(23(25)26)11(2)22(3)21-16/h12-15H,4-10H2,1-3H3,(H,20,24)/t12?,13?,14?,15-,19?/m0/s1