6-chloranyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: 6-chloranyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 6-chloro-1-[[3-(morpholinomethyl)phenyl]methyl]-4-oxo-quinoline-3-carboxamide CAS Name: 6-chloro-1-[[3-(4-morpholinylmethyl)phenyl]methyl]-4-oxo-3-quinolinecarboxamide IUPAC Name: 6-chloro-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxoquinoline-3-carboxamide Traditional Name: 6-chloro-4-keto-1-[3-(morpholinomethyl)benzyl]quinoline-3-carboxamide Formula: C22H22ClN3O3 MolecularWeight: 411.88138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=CC(=C2)CN3C=C(C(=O)C4=C3C=CC(=C4)Cl)C(=O)N

Isomeric SMILES

C1COCCN1CC2=CC=CC(=C2)CN3C=C(C(=O)C4=C3C=CC(=C4)Cl)C(=O)N

InChI

InChI=1S/C22H22ClN3O3/c23-17-4-5-20-18(11-17)21(27)19(22(24)28)14-26(20)13-16-3-1-2-15(10-16)12-25-6-8-29-9-7-25/h1-5,10-11,14H,6-9,12-13H2,(H2,24,28)