4-[[7-(1-benzothiophen-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol

Systemtic Name: 4-[[7-(1-benzothiophen-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol Openeye Name: 4-[[7-(benzothiophen-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol CAS Name: 4-[[7-(1-benzothiophen-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol IUPAC Name: 4-[[7-(1-benzothiophen-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol Traditional Name: 4-[[7-(benzothiophen-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol Formula: C25H23NO3S MolecularWeight: 417.52002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=C(C=C3)O)C4=CSC5=CC=CC=C54

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=C(C=C3)O)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C25H23NO3S/c1-28-23-13-18(22-16-30-24-5-3-2-4-21(22)24)12-19-15-26(10-11-29-25(19)23)14-17-6-8-20(27)9-7-17/h2-9,12-13,16,27H,10-11,14-15H2,1H3