6-ethyl-5-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]-2-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 6-ethyl-5-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 6-ethyl-5-[4-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 6-ethyl-5-[4-[2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazinyl]propoxy]phenyl]-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 6-ethyl-5-[4-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 6-ethyl-5-[4-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazino]propoxy]phenyl]-2-keto-1H-pyridine-3-carbonitrile Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=O)N1)C#N)C2=CC=C(C=C2)OCC(CN3CCN(CC3)C4=CC=CC=C4OC)O

Isomeric SMILES

CCC1=C(C=C(C(=O)N1)C#N)C2=CC=C(C=C2)OCC(CN3CCN(CC3)C4=CC=CC=C4OC)O

InChI

InChI=1S/C28H32N4O4/c1-3-25-24(16-21(17-29)28(34)30-25)20-8-10-23(11-9-20)36-19-22(33)18-31-12-14-32(15-13-31)26-6-4-5-7-27(26)35-2/h4-11,16,22,33H,3,12-15,18-19H2,1-2H3,(H,30,34)