4-(2-cyclohexylethyl)-9-imidazol-1-yl-2,3,5,6-tetrahydro-1,7,4-benzodioxazonine

Systemtic Name: 4-(2-cyclohexylethyl)-9-imidazol-1-yl-2,3,5,6-tetrahydro-1,7,4-benzodioxazonine Openeye Name: 4-(2-cyclohexylethyl)-9-imidazol-1-yl-2,3,5,6-tetrahydro-1,7,4-benzodioxazonine CAS Name: 4-(2-cyclohexylethyl)-9-(1-imidazolyl)-2,3,5,6-tetrahydro-1,7,4-benzodioxazonine IUPAC Name: 4-(2-cyclohexylethyl)-9-imidazol-1-yl-2,3,5,6-tetrahydro-1,7,4-benzodioxazonine Traditional Name: 4-(2-cyclohexylethyl)-9-imidazol-1-yl-2,3,5,6-tetrahydro-1,7,4-benzodioxazonine Formula: C21H29N3O2 MolecularWeight: 355.47386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCN2CCOC3=C(C=C(C=C3)N4C=CN=C4)OCC2

Isomeric SMILES

C1CCC(CC1)CCN2CCOC3=C(C=C(C=C3)N4C=CN=C4)OCC2

InChI

InChI=1S/C21H29N3O2/c1-2-4-18(5-3-1)8-10-23-12-14-25-20-7-6-19(24-11-9-22-17-24)16-21(20)26-15-13-23/h6-7,9,11,16-18H,1-5,8,10,12-15H2