6-[6-cyano-6-(5-cyanothiophen-2-yl)-7-methyl-2-piperazin-1-yl-octoxy]pyridine-2-carbonitrile

Systemtic Name: 6-[6-cyano-6-(5-cyanothiophen-2-yl)-7-methyl-2-piperazin-1-yl-octoxy]pyridine-2-carbonitrile Openeye Name: 6-[6-cyano-6-(5-cyano-2-thienyl)-7-methyl-2-piperazin-1-yl-octoxy]pyridine-2-carbonitrile CAS Name: 6-[6-cyano-6-(5-cyano-2-thiophenyl)-7-methyl-2-(1-piperazinyl)octoxy]-2-pyridinecarbonitrile IUPAC Name: 6-[6-cyano-6-(5-cyanothiophen-2-yl)-7-methyl-2-piperazin-1-yloctoxy]pyridine-2-carbonitrile Traditional Name: 6-[6-cyano-6-(5-cyano-2-thienyl)-7-methyl-2-piperazino-octoxy]picolinonitrile Formula: C25H30N6OS MolecularWeight: 462.6103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC=CC(=N1)C#N)N2CCNCC2)(C#N)C3=CC=C(S3)C#N

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=CC(=N1)C#N)N2CCNCC2)(C#N)C3=CC=C(S3)C#N

InChI

InChI=1S/C25H30N6OS/c1-19(2)25(18-28,23-9-8-22(16-27)33-23)10-4-6-21(31-13-11-29-12-14-31)17-32-24-7-3-5-20(15-26)30-24/h3,5,7-9,19,21,29H,4,6,10-14,17H2,1-2H3