2-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]propanenitrile

Systemtic Name: 2-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]propanenitrile Openeye Name: 2-[4-(4-phenethylpiperazin-1-yl)benzothiophen-2-yl]propanenitrile CAS Name: 2-[4-(4-phenethyl-1-piperazinyl)-1-benzothiophen-2-yl]propanenitrile IUPAC Name: 2-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]propanenitrile Traditional Name: 2-[4-(4-phenethylpiperazino)benzothiophen-2-yl]propionitrile Formula: C23H25N3S MolecularWeight: 375.5297

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CC2=C(C=CC=C2S1)N3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC(C#N)C1=CC2=C(C=CC=C2S1)N3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3S/c1-18(17-24)23-16-20-21(8-5-9-22(20)27-23)26-14-12-25(13-15-26)11-10-19-6-3-2-4-7-19/h2-9,16,18H,10-15H2,1H3