methyl 3-acetamido-5-[(3-fluorophenyl)methylamino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-5-[(3-fluorophenyl)methylamino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-[(3-fluorophenyl)methylamino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-5-[(3-fluorophenyl)methylamino]-1-methyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-[(3-fluorophenyl)methylamino]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-[(3-fluorobenzyl)amino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C19H19FN4O3 MolecularWeight: 370.377563

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N(C2=NC=C(C=C12)NCC3=CC(=CC=C3)F)C)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(N(C2=NC=C(C=C12)NCC3=CC(=CC=C3)F)C)C(=O)OC

InChI

InChI=1S/C19H19FN4O3/c1-11(25)23-16-15-8-14(21-9-12-5-4-6-13(20)7-12)10-22-18(15)24(2)17(16)19(26)27-3/h4-8,10,21H,9H2,1-3H3,(H,23,25)