5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: 5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: 5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-N-[3-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C23H22F3N5O2 MolecularWeight: 457.44829

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=CC(=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=CC(=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C23H22F3N5O2/c24-23(25,26)18-7-4-8-19(14-18)29-21-20(31(32)33)22(28-15-27-21)30-11-9-17(10-12-30)13-16-5-2-1-3-6-16/h1-8,14-15,17H,9-13H2,(H,27,28,29)