4-[[4-[2-oxidanyl-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-oxidanyl-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-hydroxy-3-(2-thienylmethoxy)propyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-hydroxy-3-(2-thenyloxy)propyl]piperazino]methyl]benzonitrile Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC(COCC3=CC=CS3)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC(COCC3=CC=CS3)O

InChI

InChI=1S/C20H25N3O2S/c21-12-17-3-5-18(6-4-17)13-22-7-9-23(10-8-22)14-19(24)15-25-16-20-2-1-11-26-20/h1-6,11,19,24H,7-10,13-16H2