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

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-4-[(3-methylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 7-(1,3-benzothiazol-2-yl)-4-(m-tolylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 7-(1,3-benzothiazol-2-yl)-4-[(3-methylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 7-(1,3-benzothiazol-2-yl)-4-[(3-methylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 7-(1,3-benzothiazol-2-yl)-4-(3-methylbenzyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O2S/c1-16-5-4-6-17(11-16)14-26-9-10-28-23-19(15-26)12-18(13-21(23)27)24-25-20-7-2-3-8-22(20)29-24/h2-8,11-13,27H,9-10,14-15H2,1H3