3-(6-cyano-7-methyl-2-piperazin-1-yl-6-thiophen-3-yl-octoxy)benzenecarbonitrile

Systemtic Name: 3-(6-cyano-7-methyl-2-piperazin-1-yl-6-thiophen-3-yl-octoxy)benzenecarbonitrile Openeye Name: 3-[6-cyano-7-methyl-2-piperazin-1-yl-6-(3-thienyl)octoxy]benzonitrile CAS Name: 3-[6-cyano-7-methyl-2-(1-piperazinyl)-6-(3-thiophenyl)octoxy]benzonitrile IUPAC Name: 3-(6-cyano-7-methyl-2-piperazin-1-yl-6-thiophen-3-yloctoxy)benzonitrile Traditional Name: 3-[6-cyano-7-methyl-2-piperazino-6-(3-thienyl)octoxy]benzonitrile Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4OS/c1-20(2)25(19-27,22-8-14-31-18-22)9-4-6-23(29-12-10-28-11-13-29)17-30-24-7-3-5-21(15-24)16-26/h3,5,7-8,14-15,18,20,23,28H,4,6,9-13,17H2,1-2H3