N-[1-(1-adamantyl)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C=C4)COC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C=C4)COC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O4/c1-2-22(24-12-16-9-17(13-24)11-18(10-16)14-24)25-23(29)19-7-8-27(26-19)15-32-21-6-4-3-5-20(21)28(30)31/h3-8,16-18,22H,2,9-15H2,1H3,(H,25,29)