4-[[4-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperazino]methyl]benzonitrile Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H23N3OS/c22-14-16-5-7-17(8-6-16)15-23-9-11-24(12-10-23)21(25)20-13-18-3-1-2-4-19(18)26-20/h5-8,13H,1-4,9-12,15H2