4-bromanyl-N,N-bis(cyanomethyl)-1-propyl-pyrrole-2-carboxamide

Systemtic Name: 4-bromanyl-N,N-bis(cyanomethyl)-1-propyl-pyrrole-2-carboxamide Openeye Name: 4-bromo-N,N-bis(cyanomethyl)-1-propyl-pyrrole-2-carboxamide CAS Name: 4-bromo-N,N-bis(cyanomethyl)-1-propyl-2-pyrrolecarboxamide IUPAC Name: 4-bromo-N,N-bis(cyanomethyl)-1-propylpyrrole-2-carboxamide Traditional Name: 4-bromo-N,N-bis(cyanomethyl)-1-propyl-pyrrole-2-carboxamide Formula: C12H13BrN4O MolecularWeight: 309.16182

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=C1C(=O)N(CC#N)CC#N)Br

Isomeric SMILES

CCCN1C=C(C=C1C(=O)N(CC#N)CC#N)Br

InChI

InChI=1S/C12H13BrN4O/c1-2-5-17-9-10(13)8-11(17)12(18)16(6-3-14)7-4-15/h8-9H,2,5-7H2,1H3