4-[1-(5-bromanyl-4-prop-2-enyl-pyridin-3-yl)-1-oxidanyl-ethyl]-2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]benzenecarbonitrile

Systemtic Name: 4-[1-(5-bromanyl-4-prop-2-enyl-pyridin-3-yl)-1-oxidanyl-ethyl]-2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]benzenecarbonitrile Openeye Name: 4-[1-(4-allyl-5-bromo-3-pyridyl)-1-hydroxy-ethyl]-2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)phenoxy]benzonitrile CAS Name: 4-[1-(5-bromo-4-prop-2-enyl-3-pyridinyl)-1-hydroxyethyl]-2-[3-(3-ethyl-1-methyl-2-oxo-3-azepanyl)phenoxy]benzonitrile IUPAC Name: 4-[1-(5-bromo-4-prop-2-enylpyridin-3-yl)-1-hydroxyethyl]-2-[3-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenoxy]benzonitrile Traditional Name: 4-[1-(4-allyl-5-bromo-3-pyridyl)-1-hydroxy-ethyl]-2-[3-(3-ethyl-2-keto-1-methyl-azepan-3-yl)phenoxy]benzonitrile Formula: C32H34BrN3O3 MolecularWeight: 588.53466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)C(C)(C4=CN=CC(=C4CC=C)Br)O)C#N

Isomeric SMILES

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)C(C)(C4=CN=CC(=C4CC=C)Br)O)C#N

InChI

InChI=1S/C32H34BrN3O3/c1-5-10-26-27(20-35-21-28(26)33)31(3,38)23-14-13-22(19-34)29(18-23)39-25-12-9-11-24(17-25)32(6-2)15-7-8-16-36(4)30(32)37/h5,9,11-14,17-18,20-21,38H,1,6-8,10,15-16H2,2-4H3