2-[4-(3-pyrrol-1-ylphenyl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(3-pyrrol-1-ylphenyl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[oxo-[3-(1-pyrrolyl)phenyl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(3-pyrrol-1-ylbenzoyl)piperazino]isonicotinonitrile Formula: C21H19N5O MolecularWeight: 357.40846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C21H19N5O/c22-16-17-6-7-23-20(14-17)25-10-12-26(13-11-25)21(27)18-4-3-5-19(15-18)24-8-1-2-9-24/h1-9,14-15H,10-13H2