N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chloranyl-adamantane-1-carboxamide

Systemtic Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chloranyl-adamantane-1-carboxamide Openeye Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chloro-adamantane-1-carboxamide CAS Name: N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]-3-chloro-1-adamantanecarboxamide IUPAC Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chloroadamantane-1-carboxamide Traditional Name: N-[2-(4-bromobenzyl)pyrazol-3-yl]-3-chloro-adamantane-1-carboxamide Formula: C21H23BrClN3O MolecularWeight: 448.78382

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NC4=CC=NN4CC5=CC=C(C=C5)Br

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NC4=CC=NN4CC5=CC=C(C=C5)Br

InChI

InChI=1S/C21H23BrClN3O/c22-17-3-1-14(2-4-17)12-26-18(5-6-24-26)25-19(27)20-8-15-7-16(9-20)11-21(23,10-15)13-20/h1-6,15-16H,7-13H2,(H,25,27)