4-bromanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide

Systemtic Name: 4-bromanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide Openeye Name: 4-bromo-N-(2-cyanoethyl)-N-(3-pyridylmethyl)-1H-pyrrole-2-carboxamide CAS Name: 4-bromo-N-(2-cyanoethyl)-N-(3-pyridinylmethyl)-1H-pyrrole-2-carboxamide IUPAC Name: 4-bromo-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide Traditional Name: 4-bromo-N-(2-cyanoethyl)-N-(3-pyridylmethyl)-1H-pyrrole-2-carboxamide Formula: C14H13BrN4O MolecularWeight: 333.18322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)C(=O)C2=CC(=CN2)Br

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)C(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C14H13BrN4O/c15-12-7-13(18-9-12)14(20)19(6-2-4-16)10-11-3-1-5-17-8-11/h1,3,5,7-9,18H,2,6,10H2