3-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-(2-thenoyl)piperazino]piperidino]methyl]benzonitrile Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H26N4OS/c23-16-18-3-1-4-19(15-18)17-24-8-6-20(7-9-24)25-10-12-26(13-11-25)22(27)21-5-2-14-28-21/h1-5,14-15,20H,6-13,17H2