4-(6-cyano-7-methyl-2-piperazin-1-yl-6-thiophen-2-yl-octoxy)benzenecarbonitrile

Systemtic Name: 4-(6-cyano-7-methyl-2-piperazin-1-yl-6-thiophen-2-yl-octoxy)benzenecarbonitrile Openeye Name: 4-[6-cyano-7-methyl-2-piperazin-1-yl-6-(2-thienyl)octoxy]benzonitrile CAS Name: 4-[6-cyano-7-methyl-2-(1-piperazinyl)-6-thiophen-2-yloctoxy]benzonitrile IUPAC Name: 4-(6-cyano-7-methyl-2-piperazin-1-yl-6-thiophen-2-yloctoxy)benzonitrile Traditional Name: 4-[6-cyano-7-methyl-2-piperazino-6-(2-thienyl)octoxy]benzonitrile Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC=C(C=C1)C#N)N2CCNCC2)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=C(C=C1)C#N)N2CCNCC2)(C#N)C3=CC=CS3

InChI

InChI=1S/C25H32N4OS/c1-20(2)25(19-27,24-6-4-16-31-24)11-3-5-22(29-14-12-28-13-15-29)18-30-23-9-7-21(17-26)8-10-23/h4,6-10,16,20,22,28H,3,5,11-15,18H2,1-2H3