2-(1-adamantyl)-N-[4-bromanyl-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[4-bromanyl-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide CAS Name: 2-(1-adamantyl)-N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]-3-pyrazolyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[4-bromo-1-(3,4-dichlorobenzyl)pyrazol-3-yl]acetamide Formula: C22H24BrCl2N3O MolecularWeight: 497.25546

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=NN(C=C4Br)CC5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=NN(C=C4Br)CC5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C22H24BrCl2N3O/c23-17-12-28(11-13-1-2-18(24)19(25)6-13)27-21(17)26-20(29)10-22-7-14-3-15(8-22)5-16(4-14)9-22/h1-2,6,12,14-16H,3-5,7-11H2,(H,26,27,29)