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

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-4-[(4-methoxy-3-methyl-phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 7-(1,3-benzothiazol-2-yl)-4-[(4-methoxy-3-methyl-phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 7-(1,3-benzothiazol-2-yl)-4-[(4-methoxy-3-methylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 7-(1,3-benzothiazol-2-yl)-4-[(4-methoxy-3-methylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 7-(1,3-benzothiazol-2-yl)-4-(4-methoxy-3-methyl-benzyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CCOC3=C(C2)C=C(C=C3O)C4=NC5=CC=CC=C5S4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CCOC3=C(C2)C=C(C=C3O)C4=NC5=CC=CC=C5S4)OC

InChI

InChI=1S/C25H24N2O3S/c1-16-11-17(7-8-22(16)29-2)14-27-9-10-30-24-19(15-27)12-18(13-21(24)28)25-26-20-5-3-4-6-23(20)31-25/h3-8,11-13,28H,9-10,14-15H2,1-2H3