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

Systemtic Name: N-[2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-3,4-dimethoxy-benzamide CAS Name: N-[2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-3,4-dimethoxybenzamide Traditional Name: N-[2-ethyl-4-(2-fluorobenzyl)-3-keto-5H-1,4-benzoxazepin-7-yl]-3,4-dimethoxy-benzamide Formula: C27H27FN2O5 MolecularWeight: 478.512083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=C(C=C3)OC)OC)CC4=CC=CC=C4F

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=C(C=C3)OC)OC)CC4=CC=CC=C4F

InChI

InChI=1S/C27H27FN2O5/c1-4-22-27(32)30(15-18-7-5-6-8-21(18)28)16-19-13-20(10-12-23(19)35-22)29-26(31)17-9-11-24(33-2)25(14-17)34-3/h5-14,22H,4,15-16H2,1-3H3,(H,29,31)