2-[(7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]phenol

Systemtic Name: 2-[(7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]phenol Openeye Name: 2-[[7-methyl-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol CAS Name: 2-[[7-methyl-2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol IUPAC Name: 2-[(7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]phenol Traditional Name: 2-[[7-methyl-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CN(C2)CC3=CC=CC=C3O)C4=CSC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(CN(C2)CC3=CC=CC=C3O)C4=CSC=C4

InChI

InChI=1S/C21H21NO2S/c1-15-6-7-20-18(10-15)12-22(11-16-4-2-3-5-19(16)23)13-21(24-20)17-8-9-25-14-17/h2-10,14,21,23H,11-13H2,1H3