[(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: [(1S)-1-methyl-2-[[2-[(1S)-1-methylpropyl]pyrazol-3-yl]amino]-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [(2S)-1-[[2-[(2S)-butan-2-yl]-3-pyrazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [(1S)-2-keto-1-methyl-2-[[2-[(1S)-1-methylpropyl]pyrazol-3-yl]amino]ethyl] ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)C2=CC(=NC3=CC=CC=C32)C

Isomeric SMILES

CC[C@H](C)N1C(=CC=N1)NC(=O)[C@H](C)OC(=O)C2=CC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C21H24N4O3/c1-5-14(3)25-19(10-11-22-25)24-20(26)15(4)28-21(27)17-12-13(2)23-18-9-7-6-8-16(17)18/h6-12,14-15H,5H2,1-4H3,(H,24,26)/t14-,15-/m0/s1