[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)COC(=O)C2=NNC3=CC=CC=C32)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)COC(=O)C2=NNC3=CC=CC=C32)N4CCOCC4

InChI

InChI=1S/C21H28N4O4/c26-18(14-29-20(27)19-16-6-2-3-7-17(16)23-24-19)22-15-21(8-4-1-5-9-21)25-10-12-28-13-11-25/h2-3,6-7H,1,4-5,8-15H2,(H,22,26)(H,23,24)