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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-[2-(2,4-dimethylanilino)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-[2-(2,4-dimethylanilino)-2-keto-ethyl]isonipecotamide Formula: C23H28BrN3O2 MolecularWeight: 458.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Br)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Br)C)C

InChI

InChI=1S/C23H28BrN3O2/c1-15-4-7-21(17(3)12-15)26-22(28)14-27-10-8-18(9-11-27)23(29)25-19-5-6-20(24)16(2)13-19/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,25,29)(H,26,28)