1-[3-(1-methylpiperidin-4-yl)carbonylphenyl]-3-[2,3,4-tris(fluoranyl)phenyl]urea methanoate

Systemtic Name: 1-[3-(1-methylpiperidin-4-yl)carbonylphenyl]-3-[2,3,4-tris(fluoranyl)phenyl]urea methanoate Openeye Name: 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(2,3,4-trifluorophenyl)urea formate CAS Name: 1-[3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl]-3-(2,3,4-trifluorophenyl)urea formate IUPAC Name: 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(2,3,4-trifluorophenyl)urea formate Traditional Name: 1-[3-(1-methylisonipecotoyl)phenyl]-3-(2,3,4-trifluorophenyl)urea formate Formula: C21H21F3N3O4- MolecularWeight: 436.40435

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)NC(=O)NC3=C(C(=C(C=C3)F)F)F.C(=O)[O-]

Isomeric SMILES

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)NC(=O)NC3=C(C(=C(C=C3)F)F)F.C(=O)[O-]

InChI

InChI=1S/C20H20F3N3O2.CH2O2/c1-26-9-7-12(8-10-26)19(27)13-3-2-4-14(11-13)24-20(28)25-16-6-5-15(21)17(22)18(16)23;2-1-3/h2-6,11-12H,7-10H2,1H3,(H2,24,25,28);1H,(H,2,3)/p-1