7-(1,3-benzothiazol-2-yl)-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 7-(1,3-benzothiazol-2-yl)-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 7-(1,3-benzothiazol-2-yl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 7-(1,3-benzothiazol-2-yl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 7-(1,3-benzothiazol-2-yl)-4-(4-methoxy-2,5-dimethyl-benzyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCOC3=C(C2)C=C(C=C3O)C4=NC5=CC=CC=C5S4)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCOC3=C(C2)C=C(C=C3O)C4=NC5=CC=CC=C5S4)C)OC

InChI

InChI=1S/C26H26N2O3S/c1-16-11-23(30-3)17(2)10-19(16)14-28-8-9-31-25-20(15-28)12-18(13-22(25)29)26-27-21-6-4-5-7-24(21)32-26/h4-7,10-13,29H,8-9,14-15H2,1-3H3