N-(4-bromanyl-3-methyl-phenyl)-1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-[2-(4-fluoroanilino)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-[2-(4-fluoroanilino)-2-keto-ethyl]isonipecotamide Formula: C21H23BrFN3O2 MolecularWeight: 448.328623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F)Br

InChI

InChI=1S/C21H23BrFN3O2/c1-14-12-18(6-7-19(14)22)25-21(28)15-8-10-26(11-9-15)13-20(27)24-17-4-2-16(23)3-5-17/h2-7,12,15H,8-11,13H2,1H3,(H,24,27)(H,25,28)