5-[8-(3-bromanylphenoxy)-3-cyano-2-methyl-7-piperazin-1-yl-octan-3-yl]thiophene-2-carbonitrile

Systemtic Name: 5-[8-(3-bromanylphenoxy)-3-cyano-2-methyl-7-piperazin-1-yl-octan-3-yl]thiophene-2-carbonitrile Openeye Name: 5-[6-(3-bromophenoxy)-1-cyano-1-isopropyl-5-piperazin-1-yl-hexyl]thiophene-2-carbonitrile CAS Name: 5-[8-(3-bromophenoxy)-3-cyano-2-methyl-7-(1-piperazinyl)octan-3-yl]-2-thiophenecarbonitrile IUPAC Name: 5-[8-(3-bromophenoxy)-3-cyano-2-methyl-7-piperazin-1-yloctan-3-yl]thiophene-2-carbonitrile Traditional Name: 5-[6-(3-bromophenoxy)-1-cyano-1-isopropyl-5-piperazino-hexyl]thiophene-2-carbonitrile Formula: C25H31BrN4OS MolecularWeight: 515.50884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC(=CC=C1)Br)N2CCNCC2)(C#N)C3=CC=C(S3)C#N

Isomeric SMILES

CC(C)C(CCCC(COC1=CC(=CC=C1)Br)N2CCNCC2)(C#N)C3=CC=C(S3)C#N

InChI

InChI=1S/C25H31BrN4OS/c1-19(2)25(18-28,24-9-8-23(16-27)32-24)10-4-6-21(30-13-11-29-12-14-30)17-31-22-7-3-5-20(26)15-22/h3,5,7-9,15,19,21,29H,4,6,10-14,17H2,1-2H3