N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxidanylidene-prop-1-en-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxidanylidene-prop-1-en-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[(E)-1-(azepane-1-carbonyl)-2-(4-bromophenyl)vinyl]-2-fluoro-benzamide CAS Name: N-[(E)-3-(1-azepanyl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide IUPAC Name: N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide Traditional Name: N-[(E)-1-(azepane-1-carbonyl)-2-(4-bromophenyl)vinyl]-2-fluoro-benzamide Formula: C22H22BrFN2O2 MolecularWeight: 445.324683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=CC2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)C(=O)/C(=C\C2=CC=C(C=C2)Br)/NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H22BrFN2O2/c23-17-11-9-16(10-12-17)15-20(22(28)26-13-5-1-2-6-14-26)25-21(27)18-7-3-4-8-19(18)24/h3-4,7-12,15H,1-2,5-6,13-14H2,(H,25,27)/b20-15+