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

Systemtic Name: N-[2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide Openeye Name: N-[2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide CAS Name: N-[2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-thiophenecarboxamide IUPAC Name: N-[2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide Traditional Name: N-[2-ethyl-4-(4-fluorobenzyl)-3-keto-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide Formula: C23H21FN2O3S MolecularWeight: 424.487843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CS3)CC4=CC=C(C=C4)F

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CS3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H21FN2O3S/c1-2-19-23(28)26(13-15-5-7-17(24)8-6-15)14-16-12-18(9-10-20(16)29-19)25-22(27)21-4-3-11-30-21/h3-12,19H,2,13-14H2,1H3,(H,25,27)