N-(1-adamantyl)-1-[[2,3-bis(chloranyl)phenoxy]methyl]pyrazole-3-carboxamide

Systemtic Name: N-(1-adamantyl)-1-[[2,3-bis(chloranyl)phenoxy]methyl]pyrazole-3-carboxamide Openeye Name: N-(1-adamantyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(1-adamantyl)-1-[(2,3-dichlorophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-adamantyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide Formula: C21H23Cl2N3O2 MolecularWeight: 420.33222

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C=C4)COC5=C(C(=CC=C5)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C=C4)COC5=C(C(=CC=C5)Cl)Cl

InChI

InChI=1S/C21H23Cl2N3O2/c22-16-2-1-3-18(19(16)23)28-12-26-5-4-17(25-26)20(27)24-21-9-13-6-14(10-21)8-15(7-13)11-21/h1-5,13-15H,6-12H2,(H,24,27)