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

Systemtic Name: 5-[8-(5-chloranylpyridin-3-yl)oxy-3-cyano-2-methyl-7-piperazin-1-yl-octan-3-yl]thiophene-2-carbonitrile Openeye Name: 5-[6-[(5-chloro-3-pyridyl)oxy]-1-cyano-1-isopropyl-5-piperazin-1-yl-hexyl]thiophene-2-carbonitrile CAS Name: 5-[8-[(5-chloro-3-pyridinyl)oxy]-3-cyano-2-methyl-7-(1-piperazinyl)octan-3-yl]-2-thiophenecarbonitrile IUPAC Name: 5-[8-(5-chloropyridin-3-yl)oxy-3-cyano-2-methyl-7-piperazin-1-yloctan-3-yl]thiophene-2-carbonitrile Traditional Name: 5-[6-[(5-chloro-3-pyridyl)oxy]-1-cyano-1-isopropyl-5-piperazino-hexyl]thiophene-2-carbonitrile Formula: C24H30ClN5OS MolecularWeight: 472.0459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClN5OS/c1-18(2)24(17-27,23-6-5-22(13-26)32-23)7-3-4-20(30-10-8-28-9-11-30)16-31-21-12-19(25)14-29-15-21/h5-6,12,14-15,18,20,28H,3-4,7-11,16H2,1-2H3