methyl 3-azanyl-4-(2-cyano-1-pyridin-3-yl-ethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 3-azanyl-4-(2-cyano-1-pyridin-3-yl-ethyl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-amino-4-[2-cyano-1-(3-pyridyl)ethyl]-1H-pyrrole-2-carboxylate CAS Name: 3-amino-4-[2-cyano-1-(3-pyridinyl)ethyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-(2-cyano-1-pyridin-3-ylethyl)-1H-pyrrole-2-carboxylate Traditional Name: 3-amino-4-[2-cyano-1-(3-pyridyl)ethyl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C14H14N4O2 MolecularWeight: 270.28656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)C(CC#N)C2=CN=CC=C2)N

Isomeric SMILES

COC(=O)C1=C(C(=CN1)C(CC#N)C2=CN=CC=C2)N

InChI

InChI=1S/C14H14N4O2/c1-20-14(19)13-12(16)11(8-18-13)10(4-5-15)9-3-2-6-17-7-9/h2-3,6-8,10,18H,4,16H2,1H3