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

Systemtic Name: 4-[(3-methylphenyl)methyl]-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 4-(m-tolylmethyl)-7-(3-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 4-[(3-methylphenyl)methyl]-7-(3-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 4-[(3-methylphenyl)methyl]-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 4-(3-methylbenzyl)-7-(3-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C22H22N2O2 MolecularWeight: 346.42228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCOC3=C(C2)C=C(C=C3O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCOC3=C(C2)C=C(C=C3O)C4=CN=CC=C4

InChI

InChI=1S/C22H22N2O2/c1-16-4-2-5-17(10-16)14-24-8-9-26-22-20(15-24)11-19(12-21(22)25)18-6-3-7-23-13-18/h2-7,10-13,25H,8-9,14-15H2,1H3