1-(4-chlorophenyl)-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)cyclopentane-1-carboxamide

Systemtic Name: 1-(4-chlorophenyl)-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)cyclopentane-1-carboxamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-1-(4-chlorophenyl)cyclopentanecarboxamide CAS Name: 1-(4-chlorophenyl)-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-1-cyclopentanecarboxamide IUPAC Name: 1-(4-chlorophenyl)-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)cyclopentane-1-carboxamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-1-(4-chlorophenyl)cyclopentanecarboxamide Formula: C26H29ClN2O3 MolecularWeight: 452.97306

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)C3(CCCC3)C4=CC=C(C=C4)Cl)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)C3(CCCC3)C4=CC=C(C=C4)Cl)N(C1=O)CC=C)C

InChI

InChI=1S/C26H29ClN2O3/c1-4-15-29-21-12-11-20(16-22(21)32-17-25(2,3)24(29)31)28-23(30)26(13-5-6-14-26)18-7-9-19(27)10-8-18/h4,7-12,16H,1,5-6,13-15,17H2,2-3H3,(H,28,30)