2-(4-anthracen-9-ylcarbonylpiperazin-1-yl)pyridine-3-carbonitrile

Systemtic Name: 2-(4-anthracen-9-ylcarbonylpiperazin-1-yl)pyridine-3-carbonitrile Openeye Name: 2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[9-anthracenyl(oxo)methyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(anthracene-9-carbonyl)piperazino]nicotinonitrile Formula: C25H20N4O MolecularWeight: 392.4525

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C25H20N4O/c26-17-20-8-5-11-27-24(20)28-12-14-29(15-13-28)25(30)23-21-9-3-1-6-18(21)16-19-7-2-4-10-22(19)23/h1-11,16H,12-15H2