2-(1-benzothiophen-3-yl)-5-[4-[(6-methylpyridin-2-yl)methyl]piperazin-1-yl]-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(1-benzothiophen-3-yl)-5-[4-[(6-methylpyridin-2-yl)methyl]piperazin-1-yl]-2-propan-2-yl-pentanenitrile Openeye Name: 2-(benzothiophen-3-yl)-2-isopropyl-5-[4-[(6-methyl-2-pyridyl)methyl]piperazin-1-yl]pentanenitrile CAS Name: 2-(1-benzothiophen-3-yl)-5-[4-[(6-methyl-2-pyridinyl)methyl]-1-piperazinyl]-2-propan-2-ylpentanenitrile IUPAC Name: 2-(1-benzothiophen-3-yl)-5-[4-[(6-methylpyridin-2-yl)methyl]piperazin-1-yl]-2-propan-2-ylpentanenitrile Traditional Name: 2-(benzothiophen-3-yl)-2-isopropyl-5-[4-[(6-methyl-2-pyridyl)methyl]piperazino]valeronitrile Formula: C27H34N4S MolecularWeight: 446.65066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCN(CC2)CCCC(C#N)(C3=CSC4=CC=CC=C43)C(C)C

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCN(CC2)CCCC(C#N)(C3=CSC4=CC=CC=C43)C(C)C

InChI

InChI=1S/C27H34N4S/c1-21(2)27(20-28,25-19-32-26-11-5-4-10-24(25)26)12-7-13-30-14-16-31(17-15-30)18-23-9-6-8-22(3)29-23/h4-6,8-11,19,21H,7,12-18H2,1-3H3