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

Systemtic Name: (2,2-dimethyloxan-4-yl)-[7-pyridin-3-yl-9-(2-thiophen-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: (2,2-dimethyltetrahydropyran-4-yl)-[7-(3-pyridyl)-9-[2-(2-thienyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: (2,2-dimethyl-4-oxanyl)-[7-(3-pyridinyl)-9-(2-thiophen-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: (2,2-dimethyloxan-4-yl)-[7-pyridin-3-yl-9-(2-thiophen-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: (2,2-dimethyltetrahydropyran-4-yl)-[7-(3-pyridyl)-9-[2-(2-thienyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C28H32N2O4S MolecularWeight: 492.62968

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)C(=O)N2CCOC3=C(C2)C=C(C=C3OCCC4=CC=CS4)C5=CN=CC=C5)C

Isomeric SMILES

CC1(CC(CCO1)C(=O)N2CCOC3=C(C2)C=C(C=C3OCCC4=CC=CS4)C5=CN=CC=C5)C

InChI

InChI=1S/C28H32N2O4S/c1-28(2)17-20(7-12-34-28)27(31)30-10-13-33-26-23(19-30)15-22(21-5-3-9-29-18-21)16-25(26)32-11-8-24-6-4-14-35-24/h3-6,9,14-16,18,20H,7-8,10-13,17,19H2,1-2H3