2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide

Systemtic Name: 2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide Openeye Name: 2-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide CAS Name: 2-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-N-[(2,4-dimethylanilino)-oxomethyl]propanamide IUPAC Name: 2-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide Traditional Name: 2-[4-(5-bromo-2-pyridyl)piperazino]-N-[(2,4-dimethylphenyl)carbamoyl]propionamide Formula: C21H26BrN5O2 MolecularWeight: 460.36744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)N2CCN(CC2)C3=NC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)N2CCN(CC2)C3=NC=C(C=C3)Br)C

InChI

InChI=1S/C21H26BrN5O2/c1-14-4-6-18(15(2)12-14)24-21(29)25-20(28)16(3)26-8-10-27(11-9-26)19-7-5-17(22)13-23-19/h4-7,12-13,16H,8-11H2,1-3H3,(H2,24,25,28,29)