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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(2E)-2-[(3-fluorophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[(2E)-2-[(3-fluorophenyl)methylene]-3-oxo-1,4-benzoxazin-4-yl]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-[(2E)-2-[(3-fluorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-[(2E)-2-[(3-fluorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-[(2E)-2-(3-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=C4)F)C2=O

Isomeric SMILES

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

InChI

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