2-[4-[3-(3-nitrophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[3-(3-nitrophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[3-(3-nitrophenyl)-1H-pyrazol-5-yl]-1-piperidyl]pyridine-3-carbonitrile CAS Name: 2-[4-[3-(3-nitrophenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[3-(3-nitrophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[3-(3-nitrophenyl)-1H-pyrazol-5-yl]piperidino]nicotinonitrile Formula: C20H18N6O2 MolecularWeight: 374.39592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-])C4=C(C=CC=N4)C#N

Isomeric SMILES

C1CN(CCC1C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-])C4=C(C=CC=N4)C#N

InChI

InChI=1S/C20H18N6O2/c21-13-16-4-2-8-22-20(16)25-9-6-14(7-10-25)18-12-19(24-23-18)15-3-1-5-17(11-15)26(27)28/h1-5,8,11-12,14H,6-7,9-10H2,(H,23,24)