6-(2-cyanoethyl)-4-[4-(cyclopropylcarbamoylamino)-2-fluoranyl-phenoxy]-7-methoxy-quinoline-2-carboxamide

Systemtic Name: 6-(2-cyanoethyl)-4-[4-(cyclopropylcarbamoylamino)-2-fluoranyl-phenoxy]-7-methoxy-quinoline-2-carboxamide Openeye Name: 6-(2-cyanoethyl)-4-[4-(cyclopropylcarbamoylamino)-2-fluoro-phenoxy]-7-methoxy-quinoline-2-carboxamide CAS Name: 6-(2-cyanoethyl)-4-[4-[[(cyclopropylamino)-oxomethyl]amino]-2-fluorophenoxy]-7-methoxy-2-quinolinecarboxamide IUPAC Name: 6-(2-cyanoethyl)-4-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-2-carboxamide Traditional Name: 6-(2-cyanoethyl)-4-[4-(cyclopropylcarbamoylamino)-2-fluoro-phenoxy]-7-methoxy-quinaldamide Formula: C24H22FN5O4 MolecularWeight: 463.460983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(C=C2OC3=C(C=C(C=C3)NC(=O)NC4CC4)F)C(=O)N)CCC#N

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(C=C2OC3=C(C=C(C=C3)NC(=O)NC4CC4)F)C(=O)N)CCC#N

InChI

InChI=1S/C24H22FN5O4/c1-33-21-11-18-16(9-13(21)3-2-8-26)22(12-19(30-18)23(27)31)34-20-7-6-15(10-17(20)25)29-24(32)28-14-4-5-14/h6-7,9-12,14H,2-5H2,1H3,(H2,27,31)(H2,28,29,32)