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

Systemtic Name: 1-[7-(3-chlorophenyl)-9-(pyridin-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-3-yl-ethanone Openeye Name: 1-[7-(3-chlorophenyl)-9-(3-pyridylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3-thienyl)ethanone CAS Name: 1-[7-(3-chlorophenyl)-9-(3-pyridinylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3-thiophenyl)ethanone IUPAC Name: 1-[7-(3-chlorophenyl)-9-(pyridin-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-3-ylethanone Traditional Name: 1-[7-(3-chlorophenyl)-9-(3-pyridylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3-thienyl)ethanone Formula: C27H23ClN2O3S MolecularWeight: 491.00112

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1C(=O)CC3=CSC=C3)C=C(C=C2OCC4=CN=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1COC2=C(CN1C(=O)CC3=CSC=C3)C=C(C=C2OCC4=CN=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H23ClN2O3S/c28-24-5-1-4-21(13-24)22-12-23-16-30(26(31)11-19-6-10-34-18-19)8-9-32-27(23)25(14-22)33-17-20-3-2-7-29-15-20/h1-7,10,12-15,18H,8-9,11,16-17H2