1-[7-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one

Systemtic Name: 1-[7-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one Openeye Name: 1-[7-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one CAS Name: 1-[7-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-penten-1-one IUPAC Name: 1-[7-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one Traditional Name: 1-[7-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)CCC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)CCC=C)OC

InChI

InChI=1S/C23H27NO5/c1-5-6-7-22(25)24-10-11-29-23-18(15-24)12-17(14-21(23)28-4)16-8-9-19(26-2)20(13-16)27-3/h5,8-9,12-14H,1,6-7,10-11,15H2,2-4H3