4-(6-cyano-7-methyl-2-piperazin-1-yl-6-thiophen-3-yl-octoxy)benzenecarbonitrile

Systemtic Name: 4-(6-cyano-7-methyl-2-piperazin-1-yl-6-thiophen-3-yl-octoxy)benzenecarbonitrile Openeye Name: 4-[6-cyano-7-methyl-2-piperazin-1-yl-6-(3-thienyl)octoxy]benzonitrile CAS Name: 4-[6-cyano-7-methyl-2-(1-piperazinyl)-6-(3-thiophenyl)octoxy]benzonitrile IUPAC Name: 4-(6-cyano-7-methyl-2-piperazin-1-yl-6-thiophen-3-yloctoxy)benzonitrile Traditional Name: 4-[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=C(C=C1)C#N)N2CCNCC2)(C#N)C3=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4OS/c1-20(2)25(19-27,22-9-15-31-18-22)10-3-4-23(29-13-11-28-12-14-29)17-30-24-7-5-21(16-26)6-8-24/h5-9,15,18,20,23,28H,3-4,10-14,17H2,1-2H3