N-[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide Openeye Name: N-[2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl]-2-fluoro-benzamide CAS Name: N-[2-[4-(1-azepanyl)anilino]-2-oxoethyl]-2-fluorobenzamide IUPAC Name: N-[2-[4-(azepan-1-yl)anilino]-2-oxoethyl]-2-fluorobenzamide Traditional Name: N-[2-[4-(azepan-1-yl)anilino]-2-keto-ethyl]-2-fluoro-benzamide Formula: C21H24FN3O2 MolecularWeight: 369.432563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H24FN3O2/c22-19-8-4-3-7-18(19)21(27)23-15-20(26)24-16-9-11-17(12-10-16)25-13-5-1-2-6-14-25/h3-4,7-12H,1-2,5-6,13-15H2,(H,23,27)(H,24,26)