4-[3-[4-(2-azanylpropanoyl)-1,4-diazepan-1-yl]propoxy]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[3-[4-(2-azanylpropanoyl)-1,4-diazepan-1-yl]propoxy]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[3-[4-(2-aminopropanoyl)-1,4-diazepan-1-yl]propoxy]-2-fluoro-benzonitrile CAS Name: 4-[3-[4-(2-amino-1-oxopropyl)-1,4-diazepan-1-yl]propoxy]-2-fluorobenzonitrile IUPAC Name: 4-[3-[4-(2-aminopropanoyl)-1,4-diazepan-1-yl]propoxy]-2-fluorobenzonitrile Traditional Name: 4-[3-(4-alanyl-1,4-diazepan-1-yl)propoxy]-2-fluoro-benzonitrile Formula: C18H25FN4O2 MolecularWeight: 348.415103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCN(CC1)CCCOC2=CC(=C(C=C2)C#N)F)N

Isomeric SMILES

CC(C(=O)N1CCCN(CC1)CCCOC2=CC(=C(C=C2)C#N)F)N

InChI

InChI=1S/C18H25FN4O2/c1-14(21)18(24)23-8-2-6-22(9-10-23)7-3-11-25-16-5-4-15(13-20)17(19)12-16/h4-5,12,14H,2-3,6-11,21H2,1H3