3-[8-[[1-[2-(dimethylamino)ethanoyl]azetidin-3-yl]methoxy]isoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[[1-[2-(dimethylamino)ethanoyl]azetidin-3-yl]methoxy]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-[2-(dimethylamino)acetyl]azetidin-3-yl]methoxy]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-[2-(dimethylamino)-1-oxoethyl]-3-azetidinyl]methoxy]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[[1-[2-(dimethylamino)acetyl]azetidin-3-yl]methoxy]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[[1-[2-(dimethylamino)acetyl]azetidin-3-yl]methoxy]-6-isoquinolyl]benzonitrile Formula: C24H24N4O2 MolecularWeight: 400.47296

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(=O)N1CC(C1)COC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N

Isomeric SMILES

CN(C)CC(=O)N1CC(C1)COC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H24N4O2/c1-27(2)15-24(29)28-13-18(14-28)16-30-23-10-21(9-20-6-7-26-12-22(20)23)19-5-3-4-17(8-19)11-25/h3-10,12,18H,13-16H2,1-2H3