3-bromanyl-N-[[4-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]benzamide

Systemtic Name: 3-bromanyl-N-[[4-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]benzamide Openeye Name: 3-bromo-N-[[4-(3-pyridylmethylcarbamoyl)phenyl]methyl]benzamide CAS Name: 3-bromo-N-[[4-[oxo-(3-pyridinylmethylamino)methyl]phenyl]methyl]benzamide IUPAC Name: 3-bromo-N-[[4-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]benzamide Traditional Name: 3-bromo-N-[4-(3-pyridylmethylcarbamoyl)benzyl]benzamide Formula: C21H18BrN3O2 MolecularWeight: 424.29052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)NCC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)NCC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C21H18BrN3O2/c22-19-5-1-4-18(11-19)21(27)24-13-15-6-8-17(9-7-15)20(26)25-14-16-3-2-10-23-12-16/h1-12H,13-14H2,(H,24,27)(H,25,26)