2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-[[(2S)-oxolan-2-yl]methoxy]isoquinolin-1-one

Systemtic Name: 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-[[(2S)-oxolan-2-yl]methoxy]isoquinolin-1-one Openeye Name: 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-[[(2S)-tetrahydrofuran-2-yl]methoxy]isoquinolin-1-one CAS Name: 2-[3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-6-[[(2S)-2-oxolanyl]methoxy]-1-isoquinolinone IUPAC Name: 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-[[(2S)-oxolan-2-yl]methoxy]isoquinolin-1-one Traditional Name: 2-[3-methoxy-4-(2-pyrrolidinoethoxy)phenyl]-6-[[(2S)-tetrahydrofuran-2-yl]methoxy]isocarbostyril Formula: C27H32N2O5 MolecularWeight: 464.55338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2C=CC3=C(C2=O)C=CC(=C3)OCC4CCCO4)OCCN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)N2C=CC3=C(C2=O)C=CC(=C3)OC[C@@H]4CCCO4)OCCN5CCCC5

InChI

InChI=1S/C27H32N2O5/c1-31-26-18-21(6-9-25(26)33-16-14-28-11-2-3-12-28)29-13-10-20-17-22(7-8-24(20)27(29)30)34-19-23-5-4-15-32-23/h6-10,13,17-18,23H,2-5,11-12,14-16,19H2,1H3/t23-/m0/s1