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

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-9H-xanthene-9-carboxamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-9H-xanthene-9-carboxamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-9H-xanthene-9-carboxamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-9H-xanthene-9-carboxamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-9H-xanthene-9-carboxamide Formula: C29H30N2O4 MolecularWeight: 470.5595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)OCC(C1=O)(C)C

InChI

InChI=1S/C29H30N2O4/c1-18(2)16-31-22-14-13-19(15-25(22)34-17-29(3,4)28(31)33)30-27(32)26-20-9-5-7-11-23(20)35-24-12-8-6-10-21(24)26/h5-15,18,26H,16-17H2,1-4H3,(H,30,32)