4-[[4-(3-pyrrol-1-ylthiophen-2-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-pyrrol-1-ylthiophen-2-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-pyrrol-1-ylthiophene-2-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-pyrrol-1-ylthiophene-2-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-pyrrol-1-ylthiophene-2-carbonyl)piperazino]methyl]benzonitrile Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C21H20N4OS/c22-15-17-3-5-18(6-4-17)16-23-10-12-25(13-11-23)21(26)20-19(7-14-27-20)24-8-1-2-9-24/h1-9,14H,10-13,16H2