N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-9H-xanthene-9-carboxamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-9H-xanthene-9-carboxamide Openeye Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-9H-xanthene-9-carboxamide CAS Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-9H-xanthene-9-carboxamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-9H-xanthene-9-carboxamide Traditional Name: N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)-9H-xanthene-9-carboxamide Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)OCC(C1=O)(C)C

InChI

InChI=1S/C28H28N2O4/c1-4-15-30-21-14-13-18(16-24(21)33-17-28(2,3)27(30)32)29-26(31)25-19-9-5-7-11-22(19)34-23-12-8-6-10-20(23)25/h5-14,16,25H,4,15,17H2,1-3H3,(H,29,31)