5-bromanyl-N-(pyridin-4-ylmethyl)-2-pyrrol-1-yl-benzamide

Systemtic Name: 5-bromanyl-N-(pyridin-4-ylmethyl)-2-pyrrol-1-yl-benzamide Openeye Name: 5-bromo-N-(4-pyridylmethyl)-2-pyrrol-1-yl-benzamide CAS Name: 5-bromo-N-(pyridin-4-ylmethyl)-2-(1-pyrrolyl)benzamide IUPAC Name: 5-bromo-N-(pyridin-4-ylmethyl)-2-pyrrol-1-ylbenzamide Traditional Name: 5-bromo-N-(4-pyridylmethyl)-2-pyrrol-1-yl-benzamide Formula: C17H14BrN3O MolecularWeight: 356.21656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN3O/c18-14-3-4-16(21-9-1-2-10-21)15(11-14)17(22)20-12-13-5-7-19-8-6-13/h1-11H,12H2,(H,20,22)