1-[7-(3-chlorophenyl)-9-(thiophen-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-yl-ethanone

Systemtic Name: 1-[7-(3-chlorophenyl)-9-(thiophen-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-yl-ethanone Openeye Name: 1-[7-(3-chlorophenyl)-9-(3-thienylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-yl-ethanone CAS Name: 1-[7-(3-chlorophenyl)-9-(3-thiophenylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(1-pyrazolyl)ethanone IUPAC Name: 1-[7-(3-chlorophenyl)-9-(thiophen-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-ylethanone Traditional Name: 1-[7-(3-chlorophenyl)-9-(3-thenyloxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-yl-ethanone Formula: C25H22ClN3O3S MolecularWeight: 479.97848

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1C(=O)CN3C=CC=N3)C=C(C=C2OCC4=CSC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1COC2=C(CN1C(=O)CN3C=CC=N3)C=C(C=C2OCC4=CSC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H22ClN3O3S/c26-22-4-1-3-19(12-22)20-11-21-14-28(24(30)15-29-7-2-6-27-29)8-9-31-25(21)23(13-20)32-16-18-5-10-33-17-18/h1-7,10-13,17H,8-9,14-16H2