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

Systemtic Name: tert-butyl 2-[(cyanocarbamoylamino)methyl]-4-pyridin-4-yl-pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[(cyanocarbamoylamino)methyl]-4-(4-pyridyl)pyrrole-1-carboxylate CAS Name: 2-[[[(cyanoamino)-oxomethyl]amino]methyl]-4-pyridin-4-yl-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(cyanocarbamoylamino)methyl]-4-pyridin-4-ylpyrrole-1-carboxylate Traditional Name: 2-[(cyanocarbamoylamino)methyl]-4-(4-pyridyl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C=C1CNC(=O)NC#N)C2=CC=NC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C=C1CNC(=O)NC#N)C2=CC=NC=C2

InChI

InChI=1S/C17H19N5O3/c1-17(2,3)25-16(24)22-10-13(12-4-6-19-7-5-12)8-14(22)9-20-15(23)21-11-18/h4-8,10H,9H2,1-3H3,(H2,20,21,23)