1-[7-(2-oxidanyl-4-pyrazol-1-yl-butan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(1,3-thiazol-4-yl)ethanone

Systemtic Name: 1-[7-(2-oxidanyl-4-pyrazol-1-yl-butan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(1,3-thiazol-4-yl)ethanone Openeye Name: 1-[7-(1-hydroxy-1-methyl-3-pyrazol-1-yl-propyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiazol-4-yl-ethanone CAS Name: 1-[7-[2-hydroxy-4-(1-pyrazolyl)butan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(4-thiazolyl)ethanone IUPAC Name: 1-[7-(2-hydroxy-4-pyrazol-1-ylbutan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(1,3-thiazol-4-yl)ethanone Traditional Name: 1-[7-(1-hydroxy-1-methyl-3-pyrazol-1-yl-propyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiazol-4-yl-ethanone Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=CC=N1)(C2=CC3=C(C=C2)OCCN(C3)C(=O)CC4=CSC=N4)O

Isomeric SMILES

CC(CCN1C=CC=N1)(C2=CC3=C(C=C2)OCCN(C3)C(=O)CC4=CSC=N4)O

InChI

InChI=1S/C21H24N4O3S/c1-21(27,5-8-25-7-2-6-23-25)17-3-4-19-16(11-17)13-24(9-10-28-19)20(26)12-18-14-29-15-22-18/h2-4,6-7,11,14-15,27H,5,8-10,12-13H2,1H3