ethyl 2,4-dimethyl-5-(pyridin-3-ylmethylcarbamoylamino)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-(pyridin-3-ylmethylcarbamoylamino)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-(3-pyridylmethylcarbamoylamino)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[oxo-(3-pyridinylmethylamino)methyl]amino]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-(pyridin-3-ylmethylcarbamoylamino)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-(3-pyridylmethylcarbamoylamino)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)NC(=O)NCC2=CN=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)NC(=O)NCC2=CN=CC=C2)C

InChI

InChI=1S/C16H20N4O3/c1-4-23-15(21)13-10(2)14(19-11(13)3)20-16(22)18-9-12-6-5-7-17-8-12/h5-8,19H,4,9H2,1-3H3,(H2,18,20,22)