6-[5-[2-azanyl-3-(1H-indol-3-yl)propoxy]pyridin-3-yl]isoquinolin-1-amine; ethanoyl fluoride

Systemtic Name: 6-[5-[2-azanyl-3-(1H-indol-3-yl)propoxy]pyridin-3-yl]isoquinolin-1-amine; ethanoyl fluoride Openeye Name: acetyl fluoride; 6-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridyl]isoquinolin-1-amine CAS Name: acetyl fluoride; 6-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1-isoquinolinamine IUPAC Name: acetyl fluoride; 6-[5-[2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl]isoquinolin-1-amine Traditional Name: acetyl fluoride; [6-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridyl]-1-isoquinolyl]amine Formula: C31H32F3N5O4 MolecularWeight: 595.61209

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.C1=CC=C2C(=C1)C(=CN2)CC(COC3=CN=CC(=C3)C4=CC5=C(C=C4)C(=NC=C5)N)N

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.C1=CC=C2C(=C1)C(=CN2)CC(COC3=CN=CC(=C3)C4=CC5=C(C=C4)C(=NC=C5)N)N

InChI

InChI=1S/C25H23N5O.3C2H3FO/c26-20(10-19-13-30-24-4-2-1-3-22(19)24)15-31-21-11-18(12-28-14-21)16-5-6-23-17(9-16)7-8-29-25(23)27;3*1-2(3)4/h1-9,11-14,20,30H,10,15,26H2,(H2,27,29);3*1H3