methyl 3-(furan-2-ylcarbonylamino)-1-methyl-5-[(phenylmethyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-(furan-2-ylcarbonylamino)-1-methyl-5-[(phenylmethyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(benzylamino)-3-(furan-2-carbonylamino)-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]-1-methyl-5-[(phenylmethyl)amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(benzylamino)-3-(furan-2-carbonylamino)-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-(benzylamino)-3-(2-furoylamino)-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC(=CN=C21)NCC3=CC=CC=C3)NC(=O)C4=CC=CO4)C(=O)OC

Isomeric SMILES

CN1C(=C(C2=CC(=CN=C21)NCC3=CC=CC=C3)NC(=O)C4=CC=CO4)C(=O)OC

InChI

InChI=1S/C22H20N4O4/c1-26-19(22(28)29-2)18(25-21(27)17-9-6-10-30-17)16-11-15(13-24-20(16)26)23-12-14-7-4-3-5-8-14/h3-11,13,23H,12H2,1-2H3,(H,25,27)