2-[2-bromanyl-6-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[2-bromanyl-6-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]-N-cyclohexyl-ethanamide Openeye Name: 2-[2-bromo-6-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]-N-cyclohexyl-acetamide CAS Name: 2-[2-bromo-6-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]-N-cyclohexylacetamide IUPAC Name: 2-[2-bromo-6-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]-N-cyclohexylacetamide Traditional Name: 2-[2-bromo-6-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]-N-cyclohexyl-acetamide Formula: C19H26BrN5O3 MolecularWeight: 452.34544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2=NC=NN2)Br)OCC(=O)NC3CCCCC3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2=NC=NN2)Br)OCC(=O)NC3CCCCC3

InChI

InChI=1S/C19H26BrN5O3/c1-2-27-16-9-13(10-21-19-22-12-23-25-19)8-15(20)18(16)28-11-17(26)24-14-6-4-3-5-7-14/h8-9,12,14H,2-7,10-11H2,1H3,(H,24,26)(H2,21,22,23,25)