N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-phenyl-butanamide

Systemtic Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-phenyl-butanamide Openeye Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenyl-butanamide CAS Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenylbutanamide IUPAC Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenylbutanamide Traditional Name: N-(4-homoveratryl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)-2-phenyl-butyramide Formula: C30H34N2O5 MolecularWeight: 502.60136

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)OC(C(=O)N(C3)CCC4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)OC(C(=O)N(C3)CCC4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C30H34N2O5/c1-5-25(22-9-7-6-8-10-22)29(33)31-24-12-14-26-23(18-24)19-32(30(34)20(2)37-26)16-15-21-11-13-27(35-3)28(17-21)36-4/h6-14,17-18,20,25H,5,15-16,19H2,1-4H3,(H,31,33)