1-[4-[(2-methylphenyl)amino]-8-(3-piperidin-1-ylpropoxy)quinolin-3-yl]butan-1-one

Systemtic Name: 1-[4-[(2-methylphenyl)amino]-8-(3-piperidin-1-ylpropoxy)quinolin-3-yl]butan-1-one Openeye Name: 1-[4-(2-methylanilino)-8-[3-(1-piperidyl)propoxy]-3-quinolyl]butan-1-one CAS Name: 1-[4-(2-methylanilino)-8-[3-(1-piperidinyl)propoxy]-3-quinolinyl]-1-butanone IUPAC Name: 1-[4-(2-methylanilino)-8-(3-piperidin-1-ylpropoxy)quinolin-3-yl]butan-1-one Traditional Name: 1-[4-(o-toluidino)-8-(3-piperidinopropoxy)-3-quinolyl]butan-1-one Formula: C28H35N3O2 MolecularWeight: 445.5964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OCCCN4CCCCC4

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OCCCN4CCCCC4

InChI

InChI=1S/C28H35N3O2/c1-3-11-25(32)23-20-29-28-22(27(23)30-24-14-6-5-12-21(24)2)13-9-15-26(28)33-19-10-18-31-16-7-4-8-17-31/h5-6,9,12-15,20H,3-4,7-8,10-11,16-19H2,1-2H3,(H,29,30)