N-[3-(azepan-1-yl)propyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[(2E)-2-[(2-fluorophenyl)methylene]-3-oxo-1,4-benzoxazin-4-yl]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-[(2E)-2-(2-fluorobenzylidene)-3-keto-1,4-benzoxazin-4-yl]acetamide Formula: C26H30FN3O3 MolecularWeight: 451.533103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)CN2C3=CC=CC=C3OC(=CC4=CC=CC=C4F)C2=O

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)CN2C3=CC=CC=C3O/C(=C/C4=CC=CC=C4F)/C2=O

InChI

InChI=1S/C26H30FN3O3/c27-21-11-4-3-10-20(21)18-24-26(32)30(22-12-5-6-13-23(22)33-24)19-25(31)28-14-9-17-29-15-7-1-2-8-16-29/h3-6,10-13,18H,1-2,7-9,14-17,19H2,(H,28,31)/b24-18+