N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-phenoxy-benzamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-phenoxy-benzamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-4-phenoxy-benzamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-phenoxybenzamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-phenoxybenzamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-4-phenoxy-benzamide Formula: C29H32N2O4 MolecularWeight: 472.57538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)OCC(C1=O)(C)C

InChI

InChI=1S/C29H32N2O4/c1-20(2)16-17-31-25-18-22(12-15-26(25)34-19-29(3,4)28(31)33)30-27(32)21-10-13-24(14-11-21)35-23-8-6-5-7-9-23/h5-15,18,20H,16-17,19H2,1-4H3,(H,30,32)