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

Systemtic Name: 1-[7-[(2S)-2-oxidanyl-4-pyrazol-1-yl-butan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[7-[(1S)-1-hydroxy-1-methyl-3-pyrazol-1-yl-propyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-thienyl)ethanone CAS Name: 1-[7-[(2S)-2-hydroxy-4-(1-pyrazolyl)butan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[7-[(2S)-2-hydroxy-4-pyrazol-1-ylbutan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[7-[(1S)-1-hydroxy-1-methyl-3-pyrazol-1-yl-propyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-thienyl)ethanone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=CC=N1)(C2=CC3=C(C=C2)OCCN(C3)C(=O)CC4=CC=CS4)O

Isomeric SMILES

C[C@](CCN1C=CC=N1)(C2=CC3=C(C=C2)OCCN(C3)C(=O)CC4=CC=CS4)O

InChI

InChI=1S/C22H25N3O3S/c1-22(27,7-10-25-9-3-8-23-25)18-5-6-20-17(14-18)16-24(11-12-28-20)21(26)15-19-4-2-13-29-19/h2-6,8-9,13-14,27H,7,10-12,15-16H2,1H3/t22-/m0/s1