N-[3-(azepan-1-yl)-1-(3-fluorophenyl)-3-oxidanylidene-prop-1-en-2-yl]-2-bromanyl-benzamide

Systemtic Name: N-[3-(azepan-1-yl)-1-(3-fluorophenyl)-3-oxidanylidene-prop-1-en-2-yl]-2-bromanyl-benzamide Openeye Name: N-[1-(azepane-1-carbonyl)-2-(3-fluorophenyl)vinyl]-2-bromo-benzamide CAS Name: N-[3-(1-azepanyl)-1-(3-fluorophenyl)-3-oxoprop-1-en-2-yl]-2-bromobenzamide IUPAC Name: N-[3-(azepan-1-yl)-1-(3-fluorophenyl)-3-oxoprop-1-en-2-yl]-2-bromobenzamide Traditional Name: N-[1-(azepane-1-carbonyl)-2-(3-fluorophenyl)vinyl]-2-bromo-benzamide Formula: C22H22BrFN2O2 MolecularWeight: 445.324683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=CC2=CC(=CC=C2)F)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1CCCN(CC1)C(=O)C(=CC2=CC(=CC=C2)F)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H22BrFN2O2/c23-19-11-4-3-10-18(19)21(27)25-20(15-16-8-7-9-17(24)14-16)22(28)26-12-5-1-2-6-13-26/h3-4,7-11,14-15H,1-2,5-6,12-13H2,(H,25,27)