N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-4-propyl-benzamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-4-propyl-benzamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-4-propyl-benzamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-4-propylbenzamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-4-propylbenzamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-4-propyl-benzamide Formula: C26H34N2O3 MolecularWeight: 422.55976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CCC(C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CCC(C)C

InChI

InChI=1S/C26H34N2O3/c1-6-7-19-8-10-20(11-9-19)24(29)27-21-12-13-22-23(16-21)31-17-26(4,5)25(30)28(22)15-14-18(2)3/h8-13,16,18H,6-7,14-15,17H2,1-5H3,(H,27,29)