4-[[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carbonyl)piperazino]methyl]benzonitrile Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)N4C=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)N4C=CC=C4)C

InChI

InChI=1S/C23H24N4OS/c1-17-18(2)29-23(27-9-3-4-10-27)21(17)22(28)26-13-11-25(12-14-26)16-20-7-5-19(15-24)6-8-20/h3-10H,11-14,16H2,1-2H3