5-[3-cyano-6-[4-[2-(3-iodanylphenoxy)ethyl]piperazin-1-yl]-2-methyl-hexan-3-yl]thiophene-2-carbonitrile

Systemtic Name: 5-[3-cyano-6-[4-[2-(3-iodanylphenoxy)ethyl]piperazin-1-yl]-2-methyl-hexan-3-yl]thiophene-2-carbonitrile Openeye Name: 5-[1-cyano-4-[4-[2-(3-iodophenoxy)ethyl]piperazin-1-yl]-1-isopropyl-butyl]thiophene-2-carbonitrile CAS Name: 5-[3-cyano-6-[4-[2-(3-iodophenoxy)ethyl]-1-piperazinyl]-2-methylhexan-3-yl]-2-thiophenecarbonitrile IUPAC Name: 5-[3-cyano-6-[4-[2-(3-iodophenoxy)ethyl]piperazin-1-yl]-2-methylhexan-3-yl]thiophene-2-carbonitrile Traditional Name: 5-[1-cyano-4-[4-[2-(3-iodophenoxy)ethyl]piperazino]-1-isopropyl-butyl]thiophene-2-carbonitrile Formula: C25H31IN4OS MolecularWeight: 562.50931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC(=CC=C2)I)(C#N)C3=CC=C(S3)C#N

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC(=CC=C2)I)(C#N)C3=CC=C(S3)C#N

InChI

InChI=1S/C25H31IN4OS/c1-20(2)25(19-28,24-8-7-23(18-27)32-24)9-4-10-29-11-13-30(14-12-29)15-16-31-22-6-3-5-21(26)17-22/h3,5-8,17,20H,4,9-16H2,1-2H3