N-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: N-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: N-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: N-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: N-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: N-[(5-methylindoxazen-3-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C21H21F3N4O2 MolecularWeight: 418.41225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)ON=C2CNC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)ON=C2CNC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H21F3N4O2/c1-14-5-6-19-17(11-14)18(26-30-19)13-25-20(29)28-9-7-27(8-10-28)16-4-2-3-15(12-16)21(22,23)24/h2-6,11-12H,7-10,13H2,1H3,(H,25,29)