1-[8-methoxy-4-[(2-methylphenyl)amino]quinolin-3-yl]-2,2-ditritio-butan-1-one

Systemtic Name: 1-[8-methoxy-4-[(2-methylphenyl)amino]quinolin-3-yl]-2,2-ditritio-butan-1-one Openeye Name: 1-[8-methoxy-4-(2-methylanilino)-3-quinolyl]-2,2-ditritio-butan-1-one CAS Name: 1-[8-methoxy-4-(2-methylanilino)-3-quinolinyl]-2,2-ditritio-1-butanone IUPAC Name: 1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]-2,2-ditritiobutan-1-one Traditional Name: 1-[8-methoxy-4-(o-toluidino)-3-quinolyl]-2,2-ditritio-butan-1-one Formula: C21H22N2O2 MolecularWeight: 338.427799

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OC

Isomeric SMILES

[3H]C([3H])(CC)C(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OC

InChI

InChI=1S/C21H22N2O2/c1-4-8-18(24)16-13-22-21-15(10-7-12-19(21)25-3)20(16)23-17-11-6-5-9-14(17)2/h5-7,9-13H,4,8H2,1-3H3,(H,22,23)/i8T2