7-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxyphenyl)propan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxyphenyl)propan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 7-(1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)-1-methyl-ethyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 7-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxyphenyl)propan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 7-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxyphenyl)propan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 7-(1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)-1-methyl-ethyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OC)N2CCOC3=C(C2)C=C(C=C3O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(CC1=CC=C(C=C1)OC)N2CCOC3=C(C2)C=C(C=C3O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H26N2O3S/c1-17(13-18-7-9-21(30-2)10-8-18)28-11-12-31-25-20(16-28)14-19(15-23(25)29)26-27-22-5-3-4-6-24(22)32-26/h3-10,14-15,17,29H,11-13,16H2,1-2H3