4-[3-chloranyl-4-(2-cyanoethylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxamide

Systemtic Name: 4-[3-chloranyl-4-(2-cyanoethylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxamide Openeye Name: 4-[3-chloro-4-(2-cyanoethylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxamide CAS Name: 4-[3-chloro-4-[[(2-cyanoethylamino)-oxomethyl]amino]phenoxy]-7-methoxy-6-quinolinecarboxamide IUPAC Name: 4-[3-chloro-4-(2-cyanoethylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide Traditional Name: 4-[3-chloro-4-(2-cyanoethylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxamide Formula: C21H18ClN5O4 MolecularWeight: 439.85172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NCCC#N)Cl

Isomeric SMILES

COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NCCC#N)Cl

InChI

InChI=1S/C21H18ClN5O4/c1-30-19-11-17-13(10-14(19)20(24)28)18(5-8-25-17)31-12-3-4-16(15(22)9-12)27-21(29)26-7-2-6-23/h3-5,8-11H,2,7H2,1H3,(H2,24,28)(H2,26,27,29)