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

Systemtic Name: 1-[4-[(2-methylphenyl)amino]-8-(3-pyrrolidin-1-ylpropoxy)quinolin-3-yl]butan-1-one Openeye Name: 1-[4-(2-methylanilino)-8-(3-pyrrolidin-1-ylpropoxy)-3-quinolyl]butan-1-one CAS Name: 1-[4-(2-methylanilino)-8-[3-(1-pyrrolidinyl)propoxy]-3-quinolinyl]-1-butanone IUPAC Name: 1-[4-(2-methylanilino)-8-(3-pyrrolidin-1-ylpropoxy)quinolin-3-yl]butan-1-one Traditional Name: 1-[4-(o-toluidino)-8-(3-pyrrolidinopropoxy)-3-quinolyl]butan-1-one Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OCCCN4CCCC4

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OCCCN4CCCC4

InChI

InChI=1S/C27H33N3O2/c1-3-10-24(31)22-19-28-27-21(26(22)29-23-13-5-4-11-20(23)2)12-8-14-25(27)32-18-9-17-30-15-6-7-16-30/h4-5,8,11-14,19H,3,6-7,9-10,15-18H2,1-2H3,(H,28,29)