N-(4-bromanyl-3-methyl-phenyl)-4-[3-(propanoylamino)pyridin-2-yl]benzamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-[3-(propanoylamino)pyridin-2-yl]benzamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-[3-(propanoylamino)-2-pyridyl]benzamide CAS Name: N-(4-bromo-3-methylphenyl)-4-[3-(1-oxopropylamino)-2-pyridinyl]benzamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-[3-(propanoylamino)pyridin-2-yl]benzamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-(3-propionamido-2-pyridyl)benzamide Formula: C22H20BrN3O2 MolecularWeight: 438.3171

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(N=CC=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CCC(=O)NC1=C(N=CC=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C22H20BrN3O2/c1-3-20(27)26-19-5-4-12-24-21(19)15-6-8-16(9-7-15)22(28)25-17-10-11-18(23)14(2)13-17/h4-13H,3H2,1-2H3,(H,25,28)(H,26,27)