4-[3-chloranyl-4-(cyclopropylcarbamoylamino)phenoxy]-N-(cyanomethyl)-7-methoxy-quinoline-6-carboxamide

Systemtic Name: 4-[3-chloranyl-4-(cyclopropylcarbamoylamino)phenoxy]-N-(cyanomethyl)-7-methoxy-quinoline-6-carboxamide Openeye Name: 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-N-(cyanomethyl)-7-methoxy-quinoline-6-carboxamide CAS Name: 4-[3-chloro-4-[[(cyclopropylamino)-oxomethyl]amino]phenoxy]-N-(cyanomethyl)-7-methoxy-6-quinolinecarboxamide IUPAC Name: 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-N-(cyanomethyl)-7-methoxyquinoline-6-carboxamide Traditional Name: 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-N-(cyanomethyl)-7-methoxy-quinoline-6-carboxamide Formula: C23H20ClN5O4 MolecularWeight: 465.889

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC=CC(=C2C=C1C(=O)NCC#N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl

Isomeric SMILES

COC1=CC2=NC=CC(=C2C=C1C(=O)NCC#N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl

InChI

InChI=1S/C23H20ClN5O4/c1-32-21-12-19-15(11-16(21)22(30)27-9-7-25)20(6-8-26-19)33-14-4-5-18(17(24)10-14)29-23(31)28-13-2-3-13/h4-6,8,10-13H,2-3,9H2,1H3,(H,27,30)(H2,28,29,31)