N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-1-thiophen-2-yl-cyclopentane-1-carboxamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-1-thiophen-2-yl-cyclopentane-1-carboxamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-1-(2-thienyl)cyclopentanecarboxamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-1-thiophen-2-yl-1-cyclopentanecarboxamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-1-(2-thienyl)cyclopentanecarboxamide Formula: C26H34N2O3S MolecularWeight: 454.62476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)C3(CCCC3)C4=CC=CS4)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)C3(CCCC3)C4=CC=CS4)OCC(C1=O)(C)C

InChI

InChI=1S/C26H34N2O3S/c1-18(2)11-14-28-20-16-19(9-10-21(20)31-17-25(3,4)24(28)30)27-23(29)26(12-5-6-13-26)22-8-7-15-32-22/h7-10,15-16,18H,5-6,11-14,17H2,1-4H3,(H,27,29)