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

Systemtic Name: N-(1-adamantylmethyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(1-adamantylmethyl)-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=NN(C=C4)COC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=NN(C=C4)COC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c27-21(23-13-22-10-15-7-16(11-22)9-17(8-15)12-22)18-5-6-25(24-18)14-30-20-4-2-1-3-19(20)26(28)29/h1-6,15-17H,7-14H2,(H,23,27)