(2-methylsulfanylpyridin-3-yl)-[7-[(2R)-2-oxidanyl-4-pyrazol-1-yl-butan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: (2-methylsulfanylpyridin-3-yl)-[7-[(2R)-2-oxidanyl-4-pyrazol-1-yl-butan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: [7-[(1R)-1-hydroxy-1-methyl-3-pyrazol-1-yl-propyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2-methylsulfanyl-3-pyridyl)methanone CAS Name: [7-[(2R)-2-hydroxy-4-(1-pyrazolyl)butan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-[2-(methylthio)-3-pyridinyl]methanone IUPAC Name: [7-[(2R)-2-hydroxy-4-pyrazol-1-ylbutan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2-methylsulfanylpyridin-3-yl)methanone Traditional Name: [7-[(1R)-1-hydroxy-1-methyl-3-pyrazol-1-yl-propyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-[2-(methylthio)-3-pyridyl]methanone Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=CC=N1)(C2=CC3=C(C=C2)OCCN(C3)C(=O)C4=C(N=CC=C4)SC)O

Isomeric SMILES

C[C@@](CCN1C=CC=N1)(C2=CC3=C(C=C2)OCCN(C3)C(=O)C4=C(N=CC=C4)SC)O

InChI

InChI=1S/C23H26N4O3S/c1-23(29,8-12-27-11-4-10-25-27)18-6-7-20-17(15-18)16-26(13-14-30-20)22(28)19-5-3-9-24-21(19)31-2/h3-7,9-11,15,29H,8,12-14,16H2,1-2H3/t23-/m1/s1