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

Systemtic Name: 5-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]phenyl]carbonyl-1-(3-methoxypropyl)-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-[2-[2-(azepan-1-yl)-2-oxo-ethoxy]benzoyl]-1-(3-methoxypropyl)-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[[2-[2-(1-azepanyl)-2-oxoethoxy]phenyl]-oxomethyl]-1-(3-methoxypropyl)-2-oxo-3-pyridinecarbonitrile IUPAC Name: 5-[2-[2-(azepan-1-yl)-2-oxoethoxy]benzoyl]-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile Traditional Name: 5-[2-[2-(azepan-1-yl)-2-keto-ethoxy]benzoyl]-2-keto-1-(3-methoxypropyl)nicotinonitrile Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C=C(C=C(C1=O)C#N)C(=O)C2=CC=CC=C2OCC(=O)N3CCCCCC3

Isomeric SMILES

COCCCN1C=C(C=C(C1=O)C#N)C(=O)C2=CC=CC=C2OCC(=O)N3CCCCCC3

InChI

InChI=1S/C25H29N3O5/c1-32-14-8-13-28-17-20(15-19(16-26)25(28)31)24(30)21-9-4-5-10-22(21)33-18-23(29)27-11-6-2-3-7-12-27/h4-5,9-10,15,17H,2-3,6-8,11-14,18H2,1H3