N-[3-(2-azido-3-methyl-imidazol-4-yl)prop-2-ynyl]-4-bromanyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[3-(2-azido-3-methyl-imidazol-4-yl)prop-2-ynyl]-4-bromanyl-1H-pyrrole-2-carboxamide Openeye Name: N-[3-(2-azido-3-methyl-imidazol-4-yl)prop-2-ynyl]-4-bromo-1H-pyrrole-2-carboxamide CAS Name: N-[3-(2-azido-3-methyl-4-imidazolyl)prop-2-ynyl]-4-bromo-1H-pyrrole-2-carboxamide IUPAC Name: N-[3-(2-azido-3-methylimidazol-4-yl)prop-2-ynyl]-4-bromo-1H-pyrrole-2-carboxamide Traditional Name: N-[3-(2-azido-3-methyl-imidazol-4-yl)prop-2-ynyl]-4-bromo-1H-pyrrole-2-carboxamide Formula: C12H10BrN7O MolecularWeight: 348.1581

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1N=[N+]=[N-])C#CCNC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CN1C(=CN=C1N=[N+]=[N-])C#CCNC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C12H10BrN7O/c1-20-9(7-17-12(20)18-19-14)3-2-4-15-11(21)10-5-8(13)6-16-10/h5-7,16H,4H2,1H3,(H,15,21)