1-[(4-bromophenyl)methyl]-5-methyl-N-[4-(3-methylbutoxy)phenyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-5-methyl-N-[4-(3-methylbutoxy)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-(4-isopentyloxyphenyl)-5-methyl-triazole-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-5-methyl-N-[4-(3-methylbutoxy)phenyl]-4-triazolecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-5-methyl-N-[4-(3-methylbutoxy)phenyl]triazole-4-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-(4-isoamoxyphenyl)-5-methyl-triazole-4-carboxamide Formula: C22H25BrN4O2 MolecularWeight: 457.3635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1CC2=CC=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)OCCC(C)C

Isomeric SMILES

CC1=C(N=NN1CC2=CC=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)OCCC(C)C

InChI

InChI=1S/C22H25BrN4O2/c1-15(2)12-13-29-20-10-8-19(9-11-20)24-22(28)21-16(3)27(26-25-21)14-17-4-6-18(23)7-5-17/h4-11,15H,12-14H2,1-3H3,(H,24,28)