N-[2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-phenyl-butanamide

Systemtic Name: N-[2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-phenyl-butanamide Openeye Name: N-[2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenyl-butanamide CAS Name: N-[2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenylbutanamide IUPAC Name: N-[2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenylbutanamide Traditional Name: N-[2-ethyl-4-(4-fluorobenzyl)-3-keto-5H-1,4-benzoxazepin-7-yl]-2-phenyl-butyramide Formula: C28H29FN2O3 MolecularWeight: 460.539863

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C(CC)C3=CC=CC=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C(CC)C3=CC=CC=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C28H29FN2O3/c1-3-24(20-8-6-5-7-9-20)27(32)30-23-14-15-26-21(16-23)18-31(28(33)25(4-2)34-26)17-19-10-12-22(29)13-11-19/h5-16,24-25H,3-4,17-18H2,1-2H3,(H,30,32)