7-pyridin-2-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-2-yl-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 7-(2-pyridyl)-4-[(1-thiazol-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 7-(2-pyridinyl)-4-[[1-(2-thiazolyl)-2-pyrrolyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 7-pyridin-2-yl-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 7-(2-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=CC=CC=N5

Isomeric SMILES

C1COC2=C(CN1CC3=CC=CN3C4=NC=CS4)C=C(C=C2O)C5=CC=CC=N5

InChI

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