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

Systemtic Name: 7-pyridin-3-yl-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 7-(3-pyridyl)-4-[(1-thiazol-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 7-(3-pyridinyl)-4-[[1-(2-thiazolyl)-2-pyrrolyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 7-pyridin-3-yl-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 7-(3-pyridyl)-4-[(1-thiazol-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1CC3=CC=CN3C4=NC=CS4)C=C(C=C2O)C5=CN=CC=C5

Isomeric SMILES

C1COC2=C(CN1CC3=CC=CN3C4=NC=CS4)C=C(C=C2O)C5=CN=CC=C5

InChI

InChI=1S/C22H20N4O2S/c27-20-12-17(16-3-1-5-23-13-16)11-18-14-25(8-9-28-21(18)20)15-19-4-2-7-26(19)22-24-6-10-29-22/h1-7,10-13,27H,8-9,14-15H2