tert-butyl 2-[(imidazol-1-ylcarbonylamino)methyl]-3-methyl-4-pyridin-4-yl-pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[(imidazol-1-ylcarbonylamino)methyl]-3-methyl-4-pyridin-4-yl-pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[(imidazole-1-carbonylamino)methyl]-3-methyl-4-(4-pyridyl)pyrrole-1-carboxylate CAS Name: 2-[[[1-imidazolyl(oxo)methyl]amino]methyl]-3-methyl-4-pyridin-4-yl-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(imidazole-1-carbonylamino)methyl]-3-methyl-4-pyridin-4-ylpyrrole-1-carboxylate Traditional Name: 2-[(imidazole-1-carbonylamino)methyl]-3-methyl-4-(4-pyridyl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C=C1C2=CC=NC=C2)C(=O)OC(C)(C)C)CNC(=O)N3C=CN=C3

Isomeric SMILES

CC1=C(N(C=C1C2=CC=NC=C2)C(=O)OC(C)(C)C)CNC(=O)N3C=CN=C3

InChI

InChI=1S/C20H23N5O3/c1-14-16(15-5-7-21-8-6-15)12-25(19(27)28-20(2,3)4)17(14)11-23-18(26)24-10-9-22-13-24/h5-10,12-13H,11H2,1-4H3,(H,23,26)