4-[3-chloranyl-4-(cyclopropylcarbamoylamino)phenoxy]-7-[3-(diethylamino)-2-oxidanyl-propoxy]quinoline-6-carboxamide

Systemtic Name: 4-[3-chloranyl-4-(cyclopropylcarbamoylamino)phenoxy]-7-[3-(diethylamino)-2-oxidanyl-propoxy]quinoline-6-carboxamide Openeye Name: 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-[3-(diethylamino)-2-hydroxy-propoxy]quinoline-6-carboxamide CAS Name: 4-[3-chloro-4-[[(cyclopropylamino)-oxomethyl]amino]phenoxy]-7-[3-(diethylamino)-2-hydroxypropoxy]-6-quinolinecarboxamide IUPAC Name: 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-[3-(diethylamino)-2-hydroxypropoxy]quinoline-6-carboxamide Traditional Name: 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-[3-(diethylamino)-2-hydroxy-propoxy]quinoline-6-carboxamide Formula: C27H32ClN5O5 MolecularWeight: 542.02648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32ClN5O5/c1-3-33(4-2)14-17(34)15-37-25-13-23-19(12-20(25)26(29)35)24(9-10-30-23)38-18-7-8-22(21(28)11-18)32-27(36)31-16-5-6-16/h7-13,16-17,34H,3-6,14-15H2,1-2H3,(H2,29,35)(H2,31,32,36)