1-[7-(1-benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-yl-ethanone

Systemtic Name: 1-[7-(1-benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-yl-ethanone Openeye Name: 1-[7-(benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-yl-ethanone CAS Name: 1-[7-(1-benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(1-pyrazolyl)ethanone IUPAC Name: 1-[7-(1-benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-ylethanone Traditional Name: 1-[7-(benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-yl-ethanone Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C1OCCN(C2)C(=O)CN3C=CC=N3)C4=CSC5=CC=CC=C54

Isomeric SMILES

CCOC1=CC(=CC2=C1OCCN(C2)C(=O)CN3C=CC=N3)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C24H23N3O3S/c1-2-29-21-13-17(20-16-31-22-7-4-3-6-19(20)22)12-18-14-26(10-11-30-24(18)21)23(28)15-27-9-5-8-25-27/h3-9,12-13,16H,2,10-11,14-15H2,1H3