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

Systemtic Name: 2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]-4-[oxidanyl(pyridin-3-yl)methyl]benzenecarbonitrile Openeye Name: 2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)phenoxy]-4-[hydroxy(3-pyridyl)methyl]benzonitrile CAS Name: 2-[3-(3-ethyl-1-methyl-2-oxo-3-azepanyl)phenoxy]-4-[hydroxy(3-pyridinyl)methyl]benzonitrile IUPAC Name: 2-[3-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenoxy]-4-[hydroxy(pyridin-3-yl)methyl]benzonitrile Traditional Name: 2-[3-(3-ethyl-2-keto-1-methyl-azepan-3-yl)phenoxy]-4-[hydroxy(3-pyridyl)methyl]benzonitrile Formula: C28H29N3O3 MolecularWeight: 455.54816

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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(C4=CN=CC=C4)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O3/c1-3-28(13-4-5-15-31(2)27(28)33)23-9-6-10-24(17-23)34-25-16-20(11-12-21(25)18-29)26(32)22-8-7-14-30-19-22/h6-12,14,16-17,19,26,32H,3-5,13,15H2,1-2H3