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

Systemtic Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-4-methoxy-benzamide Openeye Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-methoxy-benzamide CAS Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-methoxybenzamide IUPAC Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-methoxybenzamide Traditional Name: N-(4-homoveratryl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)-4-methoxy-benzamide Formula: C28H30N2O6 MolecularWeight: 490.5476

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H30N2O6/c1-18-28(32)30(14-13-19-5-11-25(34-3)26(15-19)35-4)17-21-16-22(8-12-24(21)36-18)29-27(31)20-6-9-23(33-2)10-7-20/h5-12,15-16,18H,13-14,17H2,1-4H3,(H,29,31)