3-(3,5-dimethyl-4-oxidanyl-phenyl)-6,8-dimethoxy-2-methyl-7-(morpholin-4-ylmethyl)isoquinolin-1-one

Systemtic Name: 3-(3,5-dimethyl-4-oxidanyl-phenyl)-6,8-dimethoxy-2-methyl-7-(morpholin-4-ylmethyl)isoquinolin-1-one Openeye Name: 3-(4-hydroxy-3,5-dimethyl-phenyl)-6,8-dimethoxy-2-methyl-7-(morpholinomethyl)isoquinolin-1-one CAS Name: 3-(4-hydroxy-3,5-dimethylphenyl)-6,8-dimethoxy-2-methyl-7-(4-morpholinylmethyl)-1-isoquinolinone IUPAC Name: 3-(4-hydroxy-3,5-dimethylphenyl)-6,8-dimethoxy-2-methyl-7-(morpholin-4-ylmethyl)isoquinolin-1-one Traditional Name: 3-(4-hydroxy-3,5-dimethyl-phenyl)-6,8-dimethoxy-2-methyl-7-(morpholinomethyl)isocarbostyril Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C2=CC3=CC(=C(C(=C3C(=O)N2C)OC)CN4CCOCC4)OC

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C2=CC3=CC(=C(C(=C3C(=O)N2C)OC)CN4CCOCC4)OC

InChI

InChI=1S/C25H30N2O5/c1-15-10-17(11-16(2)23(15)28)20-12-18-13-21(30-4)19(14-27-6-8-32-9-7-27)24(31-5)22(18)25(29)26(20)3/h10-13,28H,6-9,14H2,1-5H3