5-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]phenyl]carbonyl-1-(2-methoxyethyl)-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 5-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]phenyl]carbonyl-1-(2-methoxyethyl)-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-[2-[2-(azepan-1-yl)-2-oxo-ethoxy]benzoyl]-1-(2-methoxyethyl)-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[[2-[2-(1-azepanyl)-2-oxoethoxy]phenyl]-oxomethyl]-1-(2-methoxyethyl)-2-oxo-3-pyridinecarbonitrile IUPAC Name: 5-[2-[2-(azepan-1-yl)-2-oxoethoxy]benzoyl]-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile Traditional Name: 5-[2-[2-(azepan-1-yl)-2-keto-ethoxy]benzoyl]-2-keto-1-(2-methoxyethyl)nicotinonitrile Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=C(C=C(C1=O)C#N)C(=O)C2=CC=CC=C2OCC(=O)N3CCCCCC3

Isomeric SMILES

COCCN1C=C(C=C(C1=O)C#N)C(=O)C2=CC=CC=C2OCC(=O)N3CCCCCC3

InChI

InChI=1S/C24H27N3O5/c1-31-13-12-27-16-19(14-18(15-25)24(27)30)23(29)20-8-4-5-9-21(20)32-17-22(28)26-10-6-2-3-7-11-26/h4-5,8-9,14,16H,2-3,6-7,10-13,17H2,1H3