3-[6-[2-(2-methoxyethoxy)ethoxy]isoquinolin-1-yl]-2-oxidanylidene-1,3-dihydroindole-5-carbonitrile

Systemtic Name: 3-[6-[2-(2-methoxyethoxy)ethoxy]isoquinolin-1-yl]-2-oxidanylidene-1,3-dihydroindole-5-carbonitrile Openeye Name: 3-[6-[2-(2-methoxyethoxy)ethoxy]-1-isoquinolyl]-2-oxo-indoline-5-carbonitrile CAS Name: 3-[6-[2-(2-methoxyethoxy)ethoxy]-1-isoquinolinyl]-2-oxo-1,3-dihydroindole-5-carbonitrile IUPAC Name: 3-[6-[2-(2-methoxyethoxy)ethoxy]isoquinolin-1-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile Traditional Name: 2-keto-3-[6-[2-(2-methoxyethoxy)ethoxy]-1-isoquinolyl]indoline-5-carbonitrile Formula: C23H21N3O4 MolecularWeight: 403.43054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOCCOC1=CC2=C(C=C1)C(=NC=C2)C3C4=C(C=CC(=C4)C#N)NC3=O

Isomeric SMILES

COCCOCCOC1=CC2=C(C=C1)C(=NC=C2)C3C4=C(C=CC(=C4)C#N)NC3=O

InChI

InChI=1S/C23H21N3O4/c1-28-8-9-29-10-11-30-17-3-4-18-16(13-17)6-7-25-22(18)21-19-12-15(14-24)2-5-20(19)26-23(21)27/h2-7,12-13,21H,8-11H2,1H3,(H,26,27)