1-[7-(3-chlorophenyl)-9-(oxan-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-ethyl-butan-1-one

Systemtic Name: 1-[7-(3-chlorophenyl)-9-(oxan-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-ethyl-butan-1-one Openeye Name: 1-[7-(3-chlorophenyl)-9-(tetrahydropyran-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-ethyl-butan-1-one CAS Name: 1-[7-(3-chlorophenyl)-9-(2-oxanylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-ethyl-1-butanone IUPAC Name: 1-[7-(3-chlorophenyl)-9-(oxan-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-ethylbutan-1-one Traditional Name: 1-[7-(3-chlorophenyl)-9-(tetrahydropyran-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-ethyl-butan-1-one Formula: C27H34ClNO4 MolecularWeight: 472.01616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCOC2=C(C1)C=C(C=C2OCC3CCCCO3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCC(CC)C(=O)N1CCOC2=C(C1)C=C(C=C2OCC3CCCCO3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H34ClNO4/c1-3-19(4-2)27(30)29-11-13-32-26-22(17-29)14-21(20-8-7-9-23(28)15-20)16-25(26)33-18-24-10-5-6-12-31-24/h7-9,14-16,19,24H,3-6,10-13,17-18H2,1-2H3