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

Systemtic Name: 1-[7-pyridin-3-yl-9-(2-thiophen-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Openeye Name: 1-[7-(3-pyridyl)-9-[2-(2-thienyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 1-[7-(3-pyridinyl)-9-(2-thiophen-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 1-[7-pyridin-3-yl-9-(2-thiophen-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Traditional Name: 1-[7-(3-pyridyl)-9-[2-(2-thienyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCOC2=C(C1)C=C(C=C2OCCC3=CC=CS3)C4=CN=CC=C4

Isomeric SMILES

CC(=O)N1CCOC2=C(C1)C=C(C=C2OCCC3=CC=CS3)C4=CN=CC=C4

InChI

InChI=1S/C22H22N2O3S/c1-16(25)24-8-10-27-22-19(15-24)12-18(17-4-2-7-23-14-17)13-21(22)26-9-6-20-5-3-11-28-20/h2-5,7,11-14H,6,8-10,15H2,1H3