(3-bromanyl-2-methyl-phenyl)-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]methanone

Systemtic Name: (3-bromanyl-2-methyl-phenyl)-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]methanone Openeye Name: (3-bromo-2-methyl-phenyl)-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]methanone CAS Name: (3-bromo-2-methylphenyl)-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-4-morpholinyl]methanone IUPAC Name: (3-bromo-2-methylphenyl)-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]methanone Traditional Name: (3-bromo-2-methyl-phenyl)-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholino]methanone Formula: C21H21BrN4O3 MolecularWeight: 457.32044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Br)C(=O)N2CCOC(C2)COC3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

CC1=C(C=CC=C1Br)C(=O)N2CCOC(C2)COC3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C21H21BrN4O3/c1-15-19(3-2-4-20(15)22)21(27)25-9-10-28-18(11-25)12-29-17-7-5-16(6-8-17)26-14-23-13-24-26/h2-8,13-14,18H,9-12H2,1H3