3-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]propanenitrile

Systemtic Name: 3-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]propanenitrile Openeye Name: 3-[4-(4-phenethylpiperazin-1-yl)benzothiophen-2-yl]propanenitrile CAS Name: 3-[4-(4-phenethyl-1-piperazinyl)-1-benzothiophen-2-yl]propanenitrile IUPAC Name: 3-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]propanenitrile Traditional Name: 3-[4-(4-phenethylpiperazino)benzothiophen-2-yl]propionitrile Formula: C23H25N3S MolecularWeight: 375.5297

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C3=C4C=C(SC4=CC=C3)CCC#N

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C3=C4C=C(SC4=CC=C3)CCC#N

InChI

InChI=1S/C23H25N3S/c24-12-5-8-20-18-21-22(9-4-10-23(21)27-20)26-16-14-25(15-17-26)13-11-19-6-2-1-3-7-19/h1-4,6-7,9-10,18H,5,8,11,13-17H2