4-[[4-(4-ethyl-5-propyl-thiophen-2-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-ethyl-5-propyl-thiophen-2-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-ethyl-5-propyl-thiophene-2-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4-ethyl-5-propyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-ethyl-5-propyl-thiophene-2-carbonyl)piperazino]methyl]benzonitrile Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)CC

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)CC

InChI

InChI=1S/C22H27N3OS/c1-3-5-20-19(4-2)14-21(27-20)22(26)25-12-10-24(11-13-25)16-18-8-6-17(15-23)7-9-18/h6-9,14H,3-5,10-13,16H2,1-2H3