4-[5-[2-azanyl-3-(1H-indol-3-yl)propoxy]pyridin-3-yl]benzenecarboximidamide; ethanoyl fluoride

Systemtic Name: 4-[5-[2-azanyl-3-(1H-indol-3-yl)propoxy]pyridin-3-yl]benzenecarboximidamide; ethanoyl fluoride Openeye Name: acetyl fluoride; 4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridyl]benzamidine CAS Name: acetyl fluoride; 4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzenecarboximidamide IUPAC Name: acetyl fluoride; 4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl]benzenecarboximidamide Traditional Name: acetyl fluoride; 4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridyl]benzamidine Formula: C29H32F3N5O4 MolecularWeight: 571.59069

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=CC=C(C=C4)C(=N)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=CC=C(C=C4)C(=N)N)N

InChI

InChI=1S/C23H23N5O.3C2H3FO/c24-19(9-18-12-28-22-4-2-1-3-21(18)22)14-29-20-10-17(11-27-13-20)15-5-7-16(8-6-15)23(25)26;3*1-2(3)4/h1-8,10-13,19,28H,9,14,24H2,(H3,25,26);3*1H3