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

Systemtic Name: 1-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-(3-methylpyridin-2-yl)piperidine-4-carboxamide Openeye Name: 1-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]-N-(3-methyl-2-pyridyl)piperidine-4-carboxamide CAS Name: 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-(3-methyl-2-pyridinyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-(3-methylpyridin-2-yl)piperidine-4-carboxamide Traditional Name: 1-[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]-N-(3-methyl-2-pyridyl)isonipecotamide Formula: C21H25BrN4O2 MolecularWeight: 445.3528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN4O2/c1-14-4-3-9-23-20(14)25-21(28)16-7-10-26(11-8-16)13-19(27)24-17-5-6-18(22)15(2)12-17/h3-6,9,12,16H,7-8,10-11,13H2,1-2H3,(H,24,27)(H,23,25,28)