4-[2-[4-[3-methoxy-2-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]-1H-pyridazin-6-one

Systemtic Name: 4-[2-[4-[3-methoxy-2-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]-1H-pyridazin-6-one Openeye Name: 4-[2-[4-[3-methoxy-2-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]-1H-pyridazin-6-one CAS Name: 4-[2-[4-[3-methoxy-2-(trifluoromethyl)phenyl]-1-piperazinyl]ethylamino]-1H-pyridazin-6-one IUPAC Name: 4-[2-[4-[3-methoxy-2-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]-1H-pyridazin-6-one Traditional Name: 4-[2-[4-[3-methoxy-2-(trifluoromethyl)phenyl]piperazino]ethylamino]-1H-pyridazin-6-one Formula: C18H22F3N5O2 MolecularWeight: 397.39479

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C(F)(F)F)N2CCN(CC2)CCNC3=CC(=O)NN=C3

Isomeric SMILES

COC1=CC=CC(=C1C(F)(F)F)N2CCN(CC2)CCNC3=CC(=O)NN=C3

InChI

InChI=1S/C18H22F3N5O2/c1-28-15-4-2-3-14(17(15)18(19,20)21)26-9-7-25(8-10-26)6-5-22-13-11-16(27)24-23-12-13/h2-4,11-12H,5-10H2,1H3,(H2,22,24,27)