[3,5-bis(trifluoromethyl)phenyl]-[2-[(4-nitrophenyl)methyl]piperidin-1-yl]methanone

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[(4-nitrophenyl)methyl]piperidin-1-yl]methanone Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[(4-nitrophenyl)methyl]-1-piperidyl]methanone CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[(4-nitrophenyl)methyl]-1-piperidinyl]methanone IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[(4-nitrophenyl)methyl]piperidin-1-yl]methanone Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(4-nitrobenzyl)piperidino]methanone Formula: C21H18F6N2O3 MolecularWeight: 460.369639

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CCN(C(C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H18F6N2O3/c22-20(23,24)15-10-14(11-16(12-15)21(25,26)27)19(30)28-8-2-1-3-18(28)9-13-4-6-17(7-5-13)29(31)32/h4-7,10-12,18H,1-3,8-9H2