[(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [(1R)-1-methyl-2-[[2-[(1R)-1-methylpropyl]pyrazol-3-yl]amino]-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [(2R)-1-[[2-[(2R)-butan-2-yl]-3-pyrazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [(1R)-2-keto-1-methyl-2-[[2-[(1R)-1-methylpropyl]pyrazol-3-yl]amino]ethyl] ester Formula: C23H28N4O3 MolecularWeight: 408.49342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C)C(=O)NC3=CC=NN3C(C)CC

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@H](C)C(=O)NC3=CC=NN3[C@H](C)CC

InChI

InChI=1S/C23H28N4O3/c1-6-14(3)27-20(12-13-24-27)26-22(28)16(5)30-23(29)21-15(4)18(7-2)25-19-11-9-8-10-17(19)21/h8-14,16H,6-7H2,1-5H3,(H,26,28)/t14-,16-/m1/s1