N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-9H-xanthene-9-carboxamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-9H-xanthene-9-carboxamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-9H-xanthene-9-carboxamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-9H-xanthene-9-carboxamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-9H-xanthene-9-carboxamide Formula: C30H32N2O4 MolecularWeight: 484.58608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)OCC(C1=O)(C)C

InChI

InChI=1S/C30H32N2O4/c1-19(2)15-16-32-23-17-20(13-14-26(23)35-18-30(3,4)29(32)34)31-28(33)27-21-9-5-7-11-24(21)36-25-12-8-6-10-22(25)27/h5-14,17,19,27H,15-16,18H2,1-4H3,(H,31,33)