N-[1-[[2,6-bis(chloranyl)phenyl]methyl]pyrazol-4-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[[2,6-bis(chloranyl)phenyl]methyl]pyrazol-4-yl]adamantane-1-carboxamide Openeye Name: N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]adamantane-1-carboxamide CAS Name: N-[1-[(2,6-dichlorophenyl)methyl]-4-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]adamantane-1-carboxamide Traditional Name: N-[1-(2,6-dichlorobenzyl)pyrazol-4-yl]adamantane-1-carboxamide Formula: C21H23Cl2N3O MolecularWeight: 404.33282

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CN(N=C4)CC5=C(C=CC=C5Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CN(N=C4)CC5=C(C=CC=C5Cl)Cl

InChI

InChI=1S/C21H23Cl2N3O/c22-18-2-1-3-19(23)17(18)12-26-11-16(10-24-26)25-20(27)21-7-13-4-14(8-21)6-15(5-13)9-21/h1-3,10-11,13-15H,4-9,12H2,(H,25,27)