7-chloranyl-4-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-chloranyl-4-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-chloro-4-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-chloro-4-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-chloro-4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-chloro-4-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C18H24ClN3O3S MolecularWeight: 397.91946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)C)CN2CCOC3=C(C2)C=C(C=C3)Cl

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C)CN2CCOC3=C(C2)C=C(C=C3)Cl

InChI

InChI=1S/C18H24ClN3O3S/c1-13(2)10-22-16(9-20-18(22)26(3,23)24)12-21-6-7-25-17-5-4-15(19)8-14(17)11-21/h4-5,8-9,13H,6-7,10-12H2,1-3H3