[2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl] 6-morpholin-4-ylpyridine-3-carboxylate

Systemtic Name: [2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl] 6-morpholin-4-ylpyridine-3-carboxylate Openeye Name: [2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-2-oxo-ethyl] 6-morpholinopyridine-3-carboxylate CAS Name: 6-(4-morpholinyl)-3-pyridinecarboxylic acid [2-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate Traditional Name: 6-morpholinonicotinic acid [2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-2-keto-ethyl] ester Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)COC(=O)C3=CN=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)COC(=O)C3=CN=C(C=C3)N4CCOCC4

InChI

InChI=1S/C25H29N5O4/c1-18-22(19(2)30(28-18)16-20-6-4-3-5-7-20)15-27-24(31)17-34-25(32)21-8-9-23(26-14-21)29-10-12-33-13-11-29/h3-9,14H,10-13,15-17H2,1-2H3,(H,27,31)