N-(1-adamantylmethyl)-1-(3-bromophenyl)-N-methyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-1-(3-bromophenyl)-N-methyl-1,2,3-triazole-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-1-(3-bromophenyl)-N-methyl-triazole-4-carboxamide CAS Name: N-(1-adamantylmethyl)-1-(3-bromophenyl)-N-methyl-4-triazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-1-(3-bromophenyl)-N-methyltriazole-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-1-(3-bromophenyl)-N-methyl-triazole-4-carboxamide Formula: C21H25BrN4O MolecularWeight: 429.3534

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC12CC3CC(C1)CC(C3)C2)C(=O)C4=CN(N=N4)C5=CC(=CC=C5)Br

Isomeric SMILES

CN(CC12CC3CC(C1)CC(C3)C2)C(=O)C4=CN(N=N4)C5=CC(=CC=C5)Br

InChI

InChI=1S/C21H25BrN4O/c1-25(13-21-9-14-5-15(10-21)7-16(6-14)11-21)20(27)19-12-26(24-23-19)18-4-2-3-17(22)8-18/h2-4,8,12,14-16H,5-7,9-11,13H2,1H3