N-(5-bromanylpyridin-2-yl)-1-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-1-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxamide Openeye Name: N-(5-bromo-2-pyridyl)-1-[2-(2,5-dimethylanilino)-2-oxo-ethyl]piperidine-3-carboxamide CAS Name: N-(5-bromo-2-pyridinyl)-1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-piperidinecarboxamide IUPAC Name: N-(5-bromopyridin-2-yl)-1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidine-3-carboxamide Traditional Name: N-(5-bromo-2-pyridyl)-1-[2-(2,5-dimethylanilino)-2-keto-ethyl]nipecotamide Formula: C21H25BrN4O2 MolecularWeight: 445.3528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CN2CCCC(C2)C(=O)NC3=NC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CN2CCCC(C2)C(=O)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN4O2/c1-14-5-6-15(2)18(10-14)24-20(27)13-26-9-3-4-16(12-26)21(28)25-19-8-7-17(22)11-23-19/h5-8,10-11,16H,3-4,9,12-13H2,1-2H3,(H,24,27)(H,23,25,28)