2-[4-[2-nitro-4-(phenylcarbonyl)phenyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[2-nitro-4-(phenylcarbonyl)phenyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(4-benzoyl-2-nitro-phenyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-(4-benzoyl-2-nitrophenyl)-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(4-benzoyl-2-nitrophenyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(4-benzoyl-2-nitro-phenyl)piperazino]isonicotinonitrile Formula: C23H19N5O3 MolecularWeight: 413.42866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])C4=NC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])C4=NC=CC(=C4)C#N

InChI

InChI=1S/C23H19N5O3/c24-16-17-8-9-25-22(14-17)27-12-10-26(11-13-27)20-7-6-19(15-21(20)28(30)31)23(29)18-4-2-1-3-5-18/h1-9,14-15H,10-13H2