N-(3-ethyl-5-oxidanylidene-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)adamantane-1-carboxamide

Systemtic Name: N-(3-ethyl-5-oxidanylidene-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)adamantane-1-carboxamide Openeye Name: N-(3-ethyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)adamantane-1-carboxamide CAS Name: N-(3-ethyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-1-adamantanecarboxamide IUPAC Name: N-(3-ethyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)adamantane-1-carboxamide Traditional Name: N-(3-ethyl-5-keto-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)adamantane-1-carboxamide Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COC2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)N1

Isomeric SMILES

CCC1COC2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)N1

InChI

InChI=1S/C22H28N2O3/c1-2-16-12-27-19-4-3-17(8-18(19)20(25)23-16)24-21(26)22-9-13-5-14(10-22)7-15(6-13)11-22/h3-4,8,13-16H,2,5-7,9-12H2,1H3,(H,23,25)(H,24,26)