N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(4-fluorophenyl)-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-5-keto-pyrrolidine-3-carboxamide Formula: C27H32FN3O4 MolecularWeight: 481.559083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)F)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)F)OCC(C1=O)(C)C

InChI

InChI=1S/C27H32FN3O4/c1-17(2)11-12-30-22-10-7-20(14-23(22)35-16-27(3,4)26(30)34)29-25(33)18-13-24(32)31(15-18)21-8-5-19(28)6-9-21/h5-10,14,17-18H,11-13,15-16H2,1-4H3,(H,29,33)