4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-2-propyl-phthalazin-1-one

Systemtic Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-2-propyl-phthalazin-1-one Openeye Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2-propyl-phthalazin-1-one CAS Name: 4-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]-2-propyl-1-phthalazinone IUPAC Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2-propylphthalazin-1-one Traditional Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2-propyl-phthalazin-1-one Formula: C23H22F3N5O4 MolecularWeight: 489.44709

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C23H22F3N5O4/c1-2-9-30-21(32)17-6-4-3-5-16(17)20(27-30)22(33)29-12-10-28(11-13-29)18-8-7-15(23(24,25)26)14-19(18)31(34)35/h3-8,14H,2,9-13H2,1H3