3-[3-[1-[4-(3-nitropyridin-2-yl)piperazin-1-yl]ethyl]-1,2-oxazol-5-yl]benzenecarbonitrile

Systemtic Name: 3-[3-[1-[4-(3-nitropyridin-2-yl)piperazin-1-yl]ethyl]-1,2-oxazol-5-yl]benzenecarbonitrile Openeye Name: 3-[3-[1-[4-(3-nitro-2-pyridyl)piperazin-1-yl]ethyl]isoxazol-5-yl]benzonitrile CAS Name: 3-[3-[1-[4-(3-nitro-2-pyridinyl)-1-piperazinyl]ethyl]-5-isoxazolyl]benzonitrile IUPAC Name: 3-[3-[1-[4-(3-nitropyridin-2-yl)piperazin-1-yl]ethyl]-1,2-oxazol-5-yl]benzonitrile Traditional Name: 3-[3-[1-[4-(3-nitro-2-pyridyl)piperazino]ethyl]isoxazol-5-yl]benzonitrile Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NOC(=C1)C2=CC=CC(=C2)C#N)N3CCN(CC3)C4=C(C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NOC(=C1)C2=CC=CC(=C2)C#N)N3CCN(CC3)C4=C(C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O3/c1-15(18-13-20(30-24-18)17-5-2-4-16(12-17)14-22)25-8-10-26(11-9-25)21-19(27(28)29)6-3-7-23-21/h2-7,12-13,15H,8-11H2,1H3