N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2-phenoxy-propanamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2-phenoxy-propanamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-phenoxy-propanamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2-phenoxypropanamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2-phenoxypropanamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-phenoxy-propionamide Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)N(C(=O)C(CO2)(C)C)CC=C)OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)N(C(=O)C(CO2)(C)C)CC=C)OC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4/c1-5-13-25-19-12-11-17(14-20(19)28-15-23(3,4)22(25)27)24-21(26)16(2)29-18-9-7-6-8-10-18/h5-12,14,16H,1,13,15H2,2-4H3,(H,24,26)