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

Systemtic Name: 5-[4-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]-6-methyl-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 5-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 5-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)-1-piperazinyl]propoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 5-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 5-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazino]propoxy]phenyl]-2-keto-6-methyl-1H-pyridine-3-carbonitrile Formula: C27H30N4O4 MolecularWeight: 474.5515

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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(=CC=C4)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O4/c1-19-26(14-21(16-28)27(33)29-19)20-6-8-24(9-7-20)35-18-23(32)17-30-10-12-31(13-11-30)22-4-3-5-25(15-22)34-2/h3-9,14-15,23,32H,10-13,17-18H2,1-2H3,(H,29,33)