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

Systemtic Name: 1-[4-[(2-methylphenyl)amino]-8-(oxiran-2-yl)quinolin-3-yl]butan-1-one Openeye Name: 1-[4-(2-methylanilino)-8-(oxiran-2-yl)-3-quinolyl]butan-1-one CAS Name: 1-[4-(2-methylanilino)-8-(2-oxiranyl)-3-quinolinyl]-1-butanone IUPAC Name: 1-[4-(2-methylanilino)-8-(oxiran-2-yl)quinolin-3-yl]butan-1-one Traditional Name: 1-[4-(o-toluidino)-8-(oxiran-2-yl)-3-quinolyl]butan-1-one Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2C4CO4

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2C4CO4

InChI

InChI=1S/C22H22N2O2/c1-3-7-19(25)17-12-23-21-15(20-13-26-20)9-6-10-16(21)22(17)24-18-11-5-4-8-14(18)2/h4-6,8-12,20H,3,7,13H2,1-2H3,(H,23,24)