4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3-nitrophenyl)methyl]piperidine

Systemtic Name: 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3-nitrophenyl)methyl]piperidine Openeye Name: 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3-nitrophenyl)methyl]piperidine CAS Name: 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3-nitrophenyl)methyl]piperidine IUPAC Name: 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3-nitrophenyl)methyl]piperidine Traditional Name: 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(3-nitrobenzyl)piperidine Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC(=NN2)C3=CC=C(C=C3)Cl)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=CC(=NN2)C3=CC=C(C=C3)Cl)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O2/c22-18-6-4-16(5-7-18)20-13-21(24-23-20)17-8-10-25(11-9-17)14-15-2-1-3-19(12-15)26(27)28/h1-7,12-13,17H,8-11,14H2,(H,23,24)