tert-butyl 2-[(imidazol-1-ylcarbonylamino)methyl]-4-pyridin-4-yl-pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[(imidazol-1-ylcarbonylamino)methyl]-4-pyridin-4-yl-pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[(imidazole-1-carbonylamino)methyl]-4-(4-pyridyl)pyrrole-1-carboxylate CAS Name: 2-[[[1-imidazolyl(oxo)methyl]amino]methyl]-4-pyridin-4-yl-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(imidazole-1-carbonylamino)methyl]-4-pyridin-4-ylpyrrole-1-carboxylate Traditional Name: 2-[(imidazole-1-carbonylamino)methyl]-4-(4-pyridyl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C19H21N5O3 MolecularWeight: 367.40174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C=C1CNC(=O)N2C=CN=C2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C=C1CNC(=O)N2C=CN=C2)C3=CC=NC=C3

InChI

InChI=1S/C19H21N5O3/c1-19(2,3)27-18(26)24-12-15(14-4-6-20-7-5-14)10-16(24)11-22-17(25)23-9-8-21-13-23/h4-10,12-13H,11H2,1-3H3,(H,22,25)