methyl 4-[[4-(aminomethyl)cyclohexyl]carbonylamino]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

Systemtic Name: methyl 4-[[4-(aminomethyl)cyclohexyl]carbonylamino]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate Openeye Name: methyl 4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate CAS Name: 4-[[[4-(aminomethyl)cyclohexyl]-oxomethyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate Traditional Name: 4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC2=NC=CC(=C12)NC(=O)C3CCC(CC3)CN

Isomeric SMILES

COC(=O)C1=CNC2=NC=CC(=C12)NC(=O)C3CCC(CC3)CN

InChI

InChI=1S/C17H22N4O3/c1-24-17(23)12-9-20-15-14(12)13(6-7-19-15)21-16(22)11-4-2-10(8-18)3-5-11/h6-7,9-11H,2-5,8,18H2,1H3,(H2,19,20,21,22)