1-[4-[(2-methylphenyl)amino]-8-[3-[methyl-(phenylmethyl)amino]propoxy]quinolin-3-yl]butan-1-one

Systemtic Name: 1-[4-[(2-methylphenyl)amino]-8-[3-[methyl-(phenylmethyl)amino]propoxy]quinolin-3-yl]butan-1-one Openeye Name: 1-[8-[3-[benzyl(methyl)amino]propoxy]-4-(2-methylanilino)-3-quinolyl]butan-1-one CAS Name: 1-[4-(2-methylanilino)-8-[3-[methyl-(phenylmethyl)amino]propoxy]-3-quinolinyl]-1-butanone IUPAC Name: 1-[8-[3-[benzyl(methyl)amino]propoxy]-4-(2-methylanilino)quinolin-3-yl]butan-1-one Traditional Name: 1-[8-[3-[benzyl(methyl)amino]propoxy]-4-(o-toluidino)-3-quinolyl]butan-1-one Formula: C31H35N3O2 MolecularWeight: 481.6285

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OCCCN(C)CC4=CC=CC=C4

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OCCCN(C)CC4=CC=CC=C4

InChI

InChI=1S/C31H35N3O2/c1-4-12-28(35)26-21-32-31-25(30(26)33-27-17-9-8-13-23(27)2)16-10-18-29(31)36-20-11-19-34(3)22-24-14-6-5-7-15-24/h5-10,13-18,21H,4,11-12,19-20,22H2,1-3H3,(H,32,33)