methyl 5-(cycloheptylamino)-1-ethyl-3-(oxolan-3-ylcarbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 5-(cycloheptylamino)-1-ethyl-3-(oxolan-3-ylcarbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(cycloheptylamino)-1-ethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-(cycloheptylamino)-1-ethyl-3-[[oxo(3-oxolanyl)methyl]amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(cycloheptylamino)-1-ethyl-3-(oxolane-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-(cycloheptylamino)-1-ethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC(=CN=C21)NC3CCCCCC3)NC(=O)C4CCOC4)C(=O)OC

Isomeric SMILES

CCN1C(=C(C2=CC(=CN=C21)NC3CCCCCC3)NC(=O)C4CCOC4)C(=O)OC

InChI

InChI=1S/C23H32N4O4/c1-3-27-20(23(29)30-2)19(26-22(28)15-10-11-31-14-15)18-12-17(13-24-21(18)27)25-16-8-6-4-5-7-9-16/h12-13,15-16,25H,3-11,14H2,1-2H3,(H,26,28)