1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyrazol-1-yl-propan-1-one

Systemtic Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyrazol-1-yl-propan-1-one Openeye Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyrazol-1-yl-propan-1-one CAS Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-3-(1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one Traditional Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-3-pyrazol-1-yl-propan-1-one Formula: C17H18F3N5O3 MolecularWeight: 397.35173

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CCN3C=CC=N3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CCN3C=CC=N3

InChI

InChI=1S/C17H18F3N5O3/c18-17(19,20)13-2-3-14(15(12-13)25(27)28)22-8-10-23(11-9-22)16(26)4-7-24-6-1-5-21-24/h1-3,5-6,12H,4,7-11H2