[(2S)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-pyrazol-1-ylpyridine-3-carboxylate

Systemtic Name: [(2S)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-pyrazol-1-ylpyridine-3-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate CAS Name: 6-(1-pyrazolyl)-3-pyridinecarboxylic acid [(2S)-1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 6-pyrazol-1-ylpyridine-3-carboxylate Traditional Name: 6-pyrazol-1-ylnicotinic acid [(1S)-2-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)C3=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)C3=CN=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H23N5O4/c1-16(31-22(29)17-3-8-20(23-15-17)27-10-2-9-24-27)21(28)25-18-4-6-19(7-5-18)26-11-13-30-14-12-26/h2-10,15-16H,11-14H2,1H3,(H,25,28)/t16-/m0/s1