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

Systemtic Name: 5-[4-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]-6-methyl-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 5-[4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 5-[4-[2-hydroxy-3-[4-(4-hydroxyphenyl)-1-piperazinyl]propoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 5-[4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 5-[4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazino]propoxy]phenyl]-2-keto-6-methyl-1H-pyridine-3-carbonitrile Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=O)N1)C#N)C2=CC=C(C=C2)OCC(CN3CCN(CC3)C4=CC=C(C=C4)O)O

Isomeric SMILES

CC1=C(C=C(C(=O)N1)C#N)C2=CC=C(C=C2)OCC(CN3CCN(CC3)C4=CC=C(C=C4)O)O

InChI

InChI=1S/C26H28N4O4/c1-18-25(14-20(15-27)26(33)28-18)19-2-8-24(9-3-19)34-17-23(32)16-29-10-12-30(13-11-29)21-4-6-22(31)7-5-21/h2-9,14,23,31-32H,10-13,16-17H2,1H3,(H,28,33)