3-[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-3-butyl-5-oxidanylidene-1,2,4-triazol-1-yl]-N-butyl-4-chloranyl-benzamide

Systemtic Name: 3-[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-3-butyl-5-oxidanylidene-1,2,4-triazol-1-yl]-N-butyl-4-chloranyl-benzamide Openeye Name: 3-[4-[(4-bromo-2-fluoro-phenyl)methyl]-3-butyl-5-oxo-1,2,4-triazol-1-yl]-N-butyl-4-chloro-benzamide CAS Name: 3-[4-[(4-bromo-2-fluorophenyl)methyl]-3-butyl-5-oxo-1,2,4-triazol-1-yl]-N-butyl-4-chlorobenzamide IUPAC Name: 3-[4-[(4-bromo-2-fluorophenyl)methyl]-3-butyl-5-oxo-1,2,4-triazol-1-yl]-N-butyl-4-chlorobenzamide Traditional Name: 3-[4-(4-bromo-2-fluoro-benzyl)-3-butyl-5-keto-1,2,4-triazol-1-yl]-N-butyl-4-chloro-benzamide Formula: C24H27BrClFN4O2 MolecularWeight: 537.852183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)Br)F)C3=C(C=CC(=C3)C(=O)NCCCC)Cl

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)Br)F)C3=C(C=CC(=C3)C(=O)NCCCC)Cl

InChI

InChI=1S/C24H27BrClFN4O2/c1-3-5-7-22-29-31(24(33)30(22)15-17-8-10-18(25)14-20(17)27)21-13-16(9-11-19(21)26)23(32)28-12-6-4-2/h8-11,13-14H,3-7,12,15H2,1-2H3,(H,28,32)