1-[8-methoxy-4-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]quinolin-3-yl]butan-1-one

Systemtic Name: 1-[8-methoxy-4-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]quinolin-3-yl]butan-1-one Openeye Name: 1-[8-methoxy-4-(2-methyl-4-pyrrolidin-1-yl-anilino)-3-quinolyl]butan-1-one CAS Name: 1-[8-methoxy-4-[2-methyl-4-(1-pyrrolidinyl)anilino]-3-quinolinyl]-1-butanone IUPAC Name: 1-[8-methoxy-4-(2-methyl-4-pyrrolidin-1-ylanilino)quinolin-3-yl]butan-1-one Traditional Name: 1-[8-methoxy-4-(2-methyl-4-pyrrolidino-anilino)-3-quinolyl]butan-1-one Formula: C25H29N3O2 MolecularWeight: 403.51666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)N4CCCC4)C)C=CC=C2OC

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)N4CCCC4)C)C=CC=C2OC

InChI

InChI=1S/C25H29N3O2/c1-4-8-22(29)20-16-26-25-19(9-7-10-23(25)30-3)24(20)27-21-12-11-18(15-17(21)2)28-13-5-6-14-28/h7,9-12,15-16H,4-6,8,13-14H2,1-3H3,(H,26,27)