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

Systemtic Name: 5-[3-cyano-8-[2-cyanoethyl(phenyl)amino]-2-methyl-7-piperazin-1-yl-octan-3-yl]thiophene-2-carbonitrile Openeye Name: 5-[1-cyano-6-[N-(2-cyanoethyl)anilino]-1-isopropyl-5-piperazin-1-yl-hexyl]thiophene-2-carbonitrile CAS Name: 5-[3-cyano-8-[N-(2-cyanoethyl)anilino]-2-methyl-7-(1-piperazinyl)octan-3-yl]-2-thiophenecarbonitrile IUPAC Name: 5-[3-cyano-8-[N-(2-cyanoethyl)anilino]-2-methyl-7-piperazin-1-yloctan-3-yl]thiophene-2-carbonitrile Traditional Name: 5-[1-cyano-6-[N-(2-cyanoethyl)anilino]-1-isopropyl-5-piperazino-hexyl]thiophene-2-carbonitrile Formula: C28H36N6S MolecularWeight: 488.69064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(CN(CCC#N)C1=CC=CC=C1)N2CCNCC2)(C#N)C3=CC=C(S3)C#N

Isomeric SMILES

CC(C)C(CCCC(CN(CCC#N)C1=CC=CC=C1)N2CCNCC2)(C#N)C3=CC=C(S3)C#N

InChI

InChI=1S/C28H36N6S/c1-23(2)28(22-31,27-12-11-26(20-30)35-27)13-6-10-25(33-18-15-32-16-19-33)21-34(17-7-14-29)24-8-4-3-5-9-24/h3-5,8-9,11-12,23,25,32H,6-7,10,13,15-19,21H2,1-2H3