4-[[(5-chloranyl-2-morpholin-4-yl-phenyl)amino]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[(5-chloranyl-2-morpholin-4-yl-phenyl)amino]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(5-chloro-2-morpholino-anilino)methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[5-chloro-2-(4-morpholinyl)anilino]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(5-chloro-2-morpholin-4-ylanilino)methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[(5-chloro-2-morpholino-anilino)methyl]-7,8-dimethyl-coumarin Formula: C22H23ClN2O3 MolecularWeight: 398.88262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNC3=C(C=CC(=C3)Cl)N4CCOCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNC3=C(C=CC(=C3)Cl)N4CCOCC4)C

InChI

InChI=1S/C22H23ClN2O3/c1-14-3-5-18-16(11-21(26)28-22(18)15(14)2)13-24-19-12-17(23)4-6-20(19)25-7-9-27-10-8-25/h3-6,11-12,24H,7-10,13H2,1-2H3