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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)adamantane-1-carboxamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)adamantane-1-carboxamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-1-adamantanecarboxamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)adamantane-1-carboxamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)adamantane-1-carboxamide Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)N(C1=O)CC=C)C

InChI

InChI=1S/C25H32N2O3/c1-4-7-27-20-6-5-19(11-21(20)30-15-24(2,3)23(27)29)26-22(28)25-12-16-8-17(13-25)10-18(9-16)14-25/h4-6,11,16-18H,1,7-10,12-15H2,2-3H3,(H,26,28)