N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]adamantane-1-carboxamide Openeye Name: N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]adamantane-1-carboxamide CAS Name: N-[1-[(3,4-dichlorophenyl)methyl]-4-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]adamantane-1-carboxamide Traditional Name: N-[1-(3,4-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=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CN(N=C4)CC5=CC(=C(C=C5)Cl)Cl

InChI

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