tert-butyl 2-(cyanocarbamoyl)-3-methyl-4-pyridin-4-yl-pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-(cyanocarbamoyl)-3-methyl-4-pyridin-4-yl-pyrrole-1-carboxylate Openeye Name: tert-butyl 2-(cyanocarbamoyl)-3-methyl-4-(4-pyridyl)pyrrole-1-carboxylate CAS Name: 2-[(cyanoamino)-oxomethyl]-3-methyl-4-pyridin-4-yl-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(cyanocarbamoyl)-3-methyl-4-pyridin-4-ylpyrrole-1-carboxylate Traditional Name: 2-(cyanocarbamoyl)-3-methyl-4-(4-pyridyl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C=C1C2=CC=NC=C2)C(=O)OC(C)(C)C)C(=O)NC#N

Isomeric SMILES

CC1=C(N(C=C1C2=CC=NC=C2)C(=O)OC(C)(C)C)C(=O)NC#N

InChI

InChI=1S/C17H18N4O3/c1-11-13(12-5-7-19-8-6-12)9-21(14(11)15(22)20-10-18)16(23)24-17(2,3)4/h5-9H,1-4H3,(H,20,22)