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

Systemtic Name: 4-[[4-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(1-ethyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(1-ethyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazino]methyl]benzonitrile Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C21H26N4O/c1-4-25-16(2)13-20(17(25)3)21(26)24-11-9-23(10-12-24)15-19-7-5-18(14-22)6-8-19/h5-8,13H,4,9-12,15H2,1-3H3