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

Systemtic Name: 3-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]propanenitrile hydrochloride Openeye Name: 3-[4-(4-phenethylpiperazin-1-yl)benzothiophen-2-yl]propanenitrile hydrochloride CAS Name: 3-[4-(4-phenethyl-1-piperazinyl)-1-benzothiophen-2-yl]propanenitrile hydrochloride IUPAC Name: 3-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]propanenitrile hydrochloride Traditional Name: 3-[4-(4-phenethylpiperazino)benzothiophen-2-yl]propionitrile hydrochloride Formula: C23H26ClN3S MolecularWeight: 411.99064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3S.ClH/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;1H