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

Systemtic Name: 4-[3-chloranyl-4-(cyanomethylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxamide Openeye Name: 4-[3-chloro-4-(cyanomethylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxamide CAS Name: 4-[3-chloro-4-[[(cyanomethylamino)-oxomethyl]amino]phenoxy]-7-methoxy-6-quinolinecarboxamide IUPAC Name: 4-[3-chloro-4-(cyanomethylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide Traditional Name: 4-[3-chloro-4-(cyanomethylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxamide Formula: C20H16ClN5O4 MolecularWeight: 425.82514

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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)NCC#N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN5O4/c1-29-18-10-16-12(9-13(18)19(23)27)17(4-6-24-16)30-11-2-3-15(14(21)8-11)26-20(28)25-7-5-22/h2-4,6,8-10H,7H2,1H3,(H2,23,27)(H2,25,26,28)