5-bromanyl-1,3-dihydroindol-2-one; 2-ethenyl-3-phenethyl-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one

Systemtic Name: 5-bromanyl-1,3-dihydroindol-2-one; 2-ethenyl-3-phenethyl-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one Openeye Name: 5-bromoindolin-2-one; 3-phenethyl-2-vinyl-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one CAS Name: 5-bromo-1,3-dihydroindol-2-one; 2-ethenyl-3-phenethyl-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one IUPAC Name: 5-bromo-1,3-dihydroindol-2-one; 2-ethenyl-3-phenethyl-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one Traditional Name: 5-bromooxindole; 3-phenethyl-2-vinyl-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one Formula: C26H30BrN3O2 MolecularWeight: 496.4393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC1NC2CCCCC2C(=O)N1CCC3=CC=CC=C3.C1C2=C(C=CC(=C2)Br)NC1=O

Isomeric SMILES

C=CC1NC2CCCCC2C(=O)N1CCC3=CC=CC=C3.C1C2=C(C=CC(=C2)Br)NC1=O

InChI

InChI=1S/C18H24N2O.C8H6BrNO/c1-2-17-19-16-11-7-6-10-15(16)18(21)20(17)13-12-14-8-4-3-5-9-14;9-6-1-2-7-5(3-6)4-8(11)10-7/h2-5,8-9,15-17,19H,1,6-7,10-13H2;1-3H,4H2,(H,10,11)