2-(1H-indol-3-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-(1H-indol-3-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: 1-[7-[(1S)-1-hydroxy-1-methyl-3-pyrazol-1-yl-propyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(1H-indol-3-yl)ethanone CAS Name: 1-[7-[(2S)-2-hydroxy-4-(1-pyrazolyl)butan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(1H-indol-3-yl)ethanone IUPAC Name: 1-[7-[(2S)-2-hydroxy-4-pyrazol-1-ylbutan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(1H-indol-3-yl)ethanone Traditional Name: 1-[7-[(1S)-1-hydroxy-1-methyl-3-pyrazol-1-yl-propyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(1H-indol-3-yl)ethanone Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=CC=N1)(C2=CC3=C(C=C2)OCCN(C3)C(=O)CC4=CNC5=CC=CC=C54)O

Isomeric SMILES

C[C@](CCN1C=CC=N1)(C2=CC3=C(C=C2)OCCN(C3)C(=O)CC4=CNC5=CC=CC=C54)O

InChI

InChI=1S/C26H28N4O3/c1-26(32,9-12-30-11-4-10-28-30)21-7-8-24-20(15-21)18-29(13-14-33-24)25(31)16-19-17-27-23-6-3-2-5-22(19)23/h2-8,10-11,15,17,27,32H,9,12-14,16,18H2,1H3/t26-/m0/s1