1-[4-[(2-methylphenyl)amino]-8-[(E)-3-oxidanylprop-1-enyl]quinolin-3-yl]butan-1-one

Systemtic Name: 1-[4-[(2-methylphenyl)amino]-8-[(E)-3-oxidanylprop-1-enyl]quinolin-3-yl]butan-1-one Openeye Name: 1-[8-[(E)-3-hydroxyprop-1-enyl]-4-(2-methylanilino)-3-quinolyl]butan-1-one CAS Name: 1-[8-[(E)-3-hydroxyprop-1-enyl]-4-(2-methylanilino)-3-quinolinyl]-1-butanone IUPAC Name: 1-[8-[(E)-3-hydroxyprop-1-enyl]-4-(2-methylanilino)quinolin-3-yl]butan-1-one Traditional Name: 1-[8-[(E)-3-hydroxyprop-1-enyl]-4-(o-toluidino)-3-quinolyl]butan-1-one Formula: C23H24N2O2 MolecularWeight: 360.44886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2/C=C/CO

InChI

InChI=1S/C23H24N2O2/c1-3-8-21(27)19-15-24-22-17(11-7-14-26)10-6-12-18(22)23(19)25-20-13-5-4-9-16(20)2/h4-7,9-13,15,26H,3,8,14H2,1-2H3,(H,24,25)/b11-7+