[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C25H34N4O4 MolecularWeight: 454.56186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C25H34N4O4/c30-23(26-20-25(11-5-2-6-12-25)28-13-15-32-16-14-28)19-33-24(31)10-9-21-17-27-29(18-21)22-7-3-1-4-8-22/h1,3-4,7-8,17-18H,2,5-6,9-16,19-20H2,(H,26,30)