N'-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]-2-fluoranyl-benzohydrazide

Systemtic Name: N'-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]-2-fluoranyl-benzohydrazide Openeye Name: N'-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]-2-fluoro-benzohydrazide CAS Name: N'-[(E)-3-[4-(1-azepanyl)phenyl]-1-oxoprop-2-enyl]-2-fluorobenzohydrazide IUPAC Name: N'-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]-2-fluorobenzohydrazide Traditional Name: N'-[(E)-3-[4-(azepan-1-yl)phenyl]acryloyl]-2-fluoro-benzohydrazide Formula: C22H24FN3O2 MolecularWeight: 381.443263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=CC(=O)NNC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=C/C(=O)NNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H24FN3O2/c23-20-8-4-3-7-19(20)22(28)25-24-21(27)14-11-17-9-12-18(13-10-17)26-15-5-1-2-6-16-26/h3-4,7-14H,1-2,5-6,15-16H2,(H,24,27)(H,25,28)/b14-11+