4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-6-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-6-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-anilino)-7-methoxy-6-(4-morpholinobutylamino)quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoroanilino)-7-methoxy-6-[4-(4-morpholinyl)butylamino]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-fluoroanilino)-7-methoxy-6-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-anilino)-7-methoxy-6-(4-morpholinobutylamino)quinoline-3-carbonitrile Formula: C25H27ClFN5O2 MolecularWeight: 483.965583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NCCCCN4CCOCC4

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NCCCCN4CCOCC4

InChI

InChI=1S/C25H27ClFN5O2/c1-33-24-14-22-19(13-23(24)29-6-2-3-7-32-8-10-34-11-9-32)25(17(15-28)16-30-22)31-18-4-5-21(27)20(26)12-18/h4-5,12-14,16,29H,2-3,6-11H2,1H3,(H,30,31)