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

Systemtic Name: 2-(cyclohexen-1-yl)-1-[7-[(2S)-2-oxidanyl-4-pyrazol-1-yl-butan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Openeye Name: 2-(cyclohexen-1-yl)-1-[7-[(1S)-1-hydroxy-1-methyl-3-pyrazol-1-yl-propyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 2-(1-cyclohexenyl)-1-[7-[(2S)-2-hydroxy-4-(1-pyrazolyl)butan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 2-(cyclohexen-1-yl)-1-[7-[(2S)-2-hydroxy-4-pyrazol-1-ylbutan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Traditional Name: 2-(cyclohexen-1-yl)-1-[7-[(1S)-1-hydroxy-1-methyl-3-pyrazol-1-yl-propyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=CC=N1)(C2=CC3=C(C=C2)OCCN(C3)C(=O)CC4=CCCCC4)O

Isomeric SMILES

C[C@](CCN1C=CC=N1)(C2=CC3=C(C=C2)OCCN(C3)C(=O)CC4=CCCCC4)O

InChI

InChI=1S/C24H31N3O3/c1-24(29,10-13-27-12-5-11-25-27)21-8-9-22-20(17-21)18-26(14-15-30-22)23(28)16-19-6-3-2-4-7-19/h5-6,8-9,11-12,17,29H,2-4,7,10,13-16,18H2,1H3/t24-/m0/s1