N-hexylmethanamide; 1-[8-methoxy-4-[(2-methylphenyl)amino]quinolin-3-yl]propan-1-one

Systemtic Name: N-hexylmethanamide; 1-[8-methoxy-4-[(2-methylphenyl)amino]quinolin-3-yl]propan-1-one Openeye Name: N-hexylformamide; 1-[8-methoxy-4-(2-methylanilino)-3-quinolyl]propan-1-one CAS Name: N-hexylformamide; 1-[8-methoxy-4-(2-methylanilino)-3-quinolinyl]-1-propanone IUPAC Name: N-hexylformamide; 1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one Traditional Name: N-hexylformamide; 1-[8-methoxy-4-(o-toluidino)-3-quinolyl]propan-1-one Formula: C27H35N3O3 MolecularWeight: 449.5851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC=O.CCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OC

Isomeric SMILES

CCCCCCNC=O.CCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OC

InChI

InChI=1S/C20H20N2O2.C7H15NO/c1-4-17(23)15-12-21-20-14(9-7-11-18(20)24-3)19(15)22-16-10-6-5-8-13(16)2;1-2-3-4-5-6-8-7-9/h5-12H,4H2,1-3H3,(H,21,22);7H,2-6H2,1H3,(H,8,9)