5-azanyl-2-[1-[3,4-bis(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-[1-[3,4-bis(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-one Openeye Name: 5-amino-2-[1-[3,4-bis(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-one CAS Name: 5-amino-2-[1-[3,4-bis(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[1-[3,4-bis(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-one Traditional Name: 5-amino-2-[1-[3,4-bis(trifluoromethyl)phenyl]ethyl]-3-pyrazolin-3-one Formula: C13H11F6N3O MolecularWeight: 339.236359

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C(F)(F)F)C(F)(F)F)N2C(=O)C=C(N2)N

Isomeric SMILES

CC(C1=CC(=C(C=C1)C(F)(F)F)C(F)(F)F)N2C(=O)C=C(N2)N

InChI

InChI=1S/C13H11F6N3O/c1-6(22-11(23)5-10(20)21-22)7-2-3-8(12(14,15)16)9(4-7)13(17,18)19/h2-6,21H,20H2,1H3