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

Systemtic Name: 5-[2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxyphenyl]carbonyl-1-(3-methoxypropyl)-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-[2-[2-(azepan-1-yl)-1-methyl-2-oxo-ethoxy]benzoyl]-1-(3-methoxypropyl)-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[[2-[1-(1-azepanyl)-1-oxopropan-2-yl]oxyphenyl]-oxomethyl]-1-(3-methoxypropyl)-2-oxo-3-pyridinecarbonitrile IUPAC Name: 5-[2-[1-(azepan-1-yl)-1-oxopropan-2-yl]oxybenzoyl]-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile Traditional Name: 5-[2-[2-(azepan-1-yl)-2-keto-1-methyl-ethoxy]benzoyl]-2-keto-1-(3-methoxypropyl)nicotinonitrile Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC2=CC=CC=C2C(=O)C3=CN(C(=O)C(=C3)C#N)CCCOC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC2=CC=CC=C2C(=O)C3=CN(C(=O)C(=C3)C#N)CCCOC

InChI

InChI=1S/C26H31N3O5/c1-19(25(31)28-12-7-3-4-8-13-28)34-23-11-6-5-10-22(23)24(30)21-16-20(17-27)26(32)29(18-21)14-9-15-33-2/h5-6,10-11,16,18-19H,3-4,7-9,12-15H2,1-2H3