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

Systemtic Name: 5-bromanyl-4-[3-cyano-6-[4-[2-(3-cyanophenoxy)ethyl]piperazin-1-yl]-2-methyl-hexan-3-yl]thiophene-2-carbonitrile Openeye Name: 5-bromo-4-[1-cyano-4-[4-[2-(3-cyanophenoxy)ethyl]piperazin-1-yl]-1-isopropyl-butyl]thiophene-2-carbonitrile CAS Name: 5-bromo-4-[3-cyano-6-[4-[2-(3-cyanophenoxy)ethyl]-1-piperazinyl]-2-methylhexan-3-yl]-2-thiophenecarbonitrile IUPAC Name: 5-bromo-4-[3-cyano-6-[4-[2-(3-cyanophenoxy)ethyl]piperazin-1-yl]-2-methylhexan-3-yl]thiophene-2-carbonitrile Traditional Name: 5-bromo-4-[1-cyano-4-[4-[2-(3-cyanophenoxy)ethyl]piperazino]-1-isopropyl-butyl]thiophene-2-carbonitrile Formula: C26H30BrN5OS MolecularWeight: 540.5183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=C2)C#N)(C#N)C3=C(SC(=C3)C#N)Br

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=C2)C#N)(C#N)C3=C(SC(=C3)C#N)Br

InChI

InChI=1S/C26H30BrN5OS/c1-20(2)26(19-30,24-16-23(18-29)34-25(24)27)7-4-8-31-9-11-32(12-10-31)13-14-33-22-6-3-5-21(15-22)17-28/h3,5-6,15-16,20H,4,7-14H2,1-2H3