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

Systemtic Name: 6-methyl-2-oxidanylidene-5-[4-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-1H-pyridine-3-carbonitrile hydrate hydrochloride Openeye Name: 5-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile hydrate hydrochloride CAS Name: 5-[4-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile hydrate hydrochloride IUPAC Name: 5-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile hydrate hydrochloride Traditional Name: 5-[4-[2-hydroxy-3-(4-phenylpiperazino)propoxy]phenyl]-2-keto-6-methyl-1H-pyridine-3-carbonitrile hydrate hydrochloride Formula: C26H31ClN4O4 MolecularWeight: 499.00174

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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)O.O.Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O3.ClH.H2O/c1-19-25(15-21(16-27)26(32)28-19)20-7-9-24(10-8-20)33-18-23(31)17-29-11-13-30(14-12-29)22-5-3-2-4-6-22;;/h2-10,15,23,31H,11-14,17-18H2,1H3,(H,28,32);1H;1H2