N-(1-adamantylmethyl)-1-[(4-bromanyl-2-chloranyl-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-1-[(4-bromanyl-2-chloranyl-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-1-[(4-bromo-2-chloro-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(1-adamantylmethyl)-1-[(4-bromo-2-chlorophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-1-[(4-bromo-2-chloro-phenoxy)methyl]pyrazole-3-carboxamide Formula: C22H25BrClN3O2 MolecularWeight: 478.8098

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=NN(C=C4)COC5=C(C=C(C=C5)Br)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=NN(C=C4)COC5=C(C=C(C=C5)Br)Cl

InChI

InChI=1S/C22H25BrClN3O2/c23-17-1-2-20(18(24)8-17)29-13-27-4-3-19(26-27)21(28)25-12-22-9-14-5-15(10-22)7-16(6-14)11-22/h1-4,8,14-16H,5-7,9-13H2,(H,25,28)