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

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)carbonyl-N-methyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-1-(4-fluorobenzoyl)-N-methyl-piperidine-4-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-[(4-fluorophenyl)-oxomethyl]-N-methyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-1-(4-fluorobenzoyl)-N-methyl-isonipecotamide Formula: C23H25BrFN3O3 MolecularWeight: 490.365303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrFN3O3/c1-15-13-18(24)5-8-20(15)26-21(29)14-27(2)22(30)17-9-11-28(12-10-17)23(31)16-3-6-19(25)7-4-16/h3-8,13,17H,9-12,14H2,1-2H3,(H,26,29)