3-[4-[(2-phenyl-1H-pyrrol-3-yl)carbonyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[(2-phenyl-1H-pyrrol-3-yl)carbonyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 3-[4-(2-phenyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]benzonitrile CAS Name: 3-[4-[oxo-(2-phenyl-1H-pyrrol-3-yl)methyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-[4-(2-phenyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]benzonitrile Traditional Name: 3-[4-(2-phenyl-1H-pyrrole-3-carbonyl)piperazino]benzonitrile Formula: C22H20N4O MolecularWeight: 356.4204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C#N)C(=O)C3=C(NC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C#N)C(=O)C3=C(NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O/c23-16-17-5-4-8-19(15-17)25-11-13-26(14-12-25)22(27)20-9-10-24-21(20)18-6-2-1-3-7-18/h1-10,15,24H,11-14H2