N-[(1S)-1-(1-adamantyl)propyl]-1-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)propyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[(1S)-1-(1-adamantyl)propyl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[(1S)-1-(1-adamantyl)propyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[(1S)-1-(1-adamantyl)propyl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[(1S)-1-(1-adamantyl)propyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C18H26N4O3 MolecularWeight: 346.42404

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3/c1-3-15(18-7-11-4-12(8-18)6-13(5-11)9-18)19-17(23)16-14(22(24)25)10-21(2)20-16/h10-13,15H,3-9H2,1-2H3,(H,19,23)/t11?,12?,13?,15-,18?/m0/s1