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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-9H-xanthene-9-carboxamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-9H-xanthene-9-carboxamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-9H-xanthene-9-carboxamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-9H-xanthene-9-carboxamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-9H-xanthene-9-carboxamide Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)N(C1=O)CC=C)C

InChI

InChI=1S/C28H26N2O4/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/h4-14,16,25H,1,15,17H2,2-3H3,(H,29,31)