4-(2-adamantyl)-7-(2,3-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-(2-adamantyl)-7-(2,3-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(2-adamantyl)-7-(2,3-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(2-adamantyl)-7-(2,3-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(2-adamantyl)-7-(2,3-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(2-adamantyl)-7-(2,3-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Formula: C28H35NO4 MolecularWeight: 449.5818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=CC3=C(C(=C2)OC)OCCN(C3)C4C5CC6CC(C5)CC4C6

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=CC3=C(C(=C2)OC)OCCN(C3)C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C28H35NO4/c1-30-24-6-4-5-23(28(24)32-3)19-14-22-16-29(7-8-33-27(22)25(15-19)31-2)26-20-10-17-9-18(12-20)13-21(26)11-17/h4-6,14-15,17-18,20-21,26H,7-13,16H2,1-3H3