1-[2-[2-(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)ethynyl]-4-nitro-phenyl]piperidine

Systemtic Name: 1-[2-[2-(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)ethynyl]-4-nitro-phenyl]piperidine Openeye Name: 1-[2-[2-(4-chloro-2,5-dimethyl-pyrazol-3-yl)ethynyl]-4-nitro-phenyl]piperidine CAS Name: 1-[2-[2-(4-chloro-2,5-dimethyl-3-pyrazolyl)ethynyl]-4-nitrophenyl]piperidine IUPAC Name: 1-[2-[2-(4-chloro-2,5-dimethylpyrazol-3-yl)ethynyl]-4-nitrophenyl]piperidine Traditional Name: 1-[2-[2-(4-chloro-2,5-dimethyl-pyrazol-3-yl)ethynyl]-4-nitro-phenyl]piperidine Formula: C18H19ClN4O2 MolecularWeight: 358.82206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Cl)C#CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C

Isomeric SMILES

CC1=NN(C(=C1Cl)C#CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C

InChI

InChI=1S/C18H19ClN4O2/c1-13-18(19)17(21(2)20-13)8-6-14-12-15(23(24)25)7-9-16(14)22-10-4-3-5-11-22/h7,9,12H,3-5,10-11H2,1-2H3