2-ethyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-isoquinolin-1-one

Systemtic Name: 2-ethyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-isoquinolin-1-one Openeye Name: 2-ethyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]isoquinolin-1-one CAS Name: 2-ethyl-6,7-dimethoxy-4-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]-1-isoquinolinone IUPAC Name: 2-ethyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]isoquinolin-1-one Traditional Name: 2-ethyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]isocarbostyril Formula: C25H29N3O5 MolecularWeight: 451.51486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H29N3O5/c1-5-26-16-19(17-14-22(32-3)23(33-4)15-18(17)24(26)29)25(30)28-12-10-27(11-13-28)20-8-6-7-9-21(20)31-2/h6-9,14-16H,5,10-13H2,1-4H3