N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-1-(5-cyano-2-pyridyl)piperidine-4-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(5-cyano-2-pyridinyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-1-(5-cyano-2-pyridyl)isonipecotamide Formula: C21H22BrN5O2 MolecularWeight: 456.33568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C21H22BrN5O2/c1-14-10-17(22)3-4-18(14)26-20(28)13-25-21(29)16-6-8-27(9-7-16)19-5-2-15(11-23)12-24-19/h2-5,10,12,16H,6-9,13H2,1H3,(H,25,29)(H,26,28)