N-[1-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-4-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[1-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-4-yl]-3-fluoranyl-benzamide Openeye Name: N-[1-[2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]-4-piperidyl]-3-fluoro-benzamide CAS Name: N-[1-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-4-piperidinyl]-3-fluorobenzamide IUPAC Name: N-[1-[2-(2-bromo-4-methylanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide Traditional Name: N-[1-[2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]-4-piperidyl]-3-fluoro-benzamide Formula: C21H23BrFN3O2 MolecularWeight: 448.328623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)NC(=O)C3=CC(=CC=C3)F)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)NC(=O)C3=CC(=CC=C3)F)Br

InChI

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