(2S)-2-[[1-(7-chloranylquinolin-4-yl)-5-phenyl-pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[1-(7-chloranylquinolin-4-yl)-5-phenyl-pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[1-(7-chloro-4-quinolyl)-5-phenyl-pyrazole-3-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[1-(7-chloro-4-quinolinyl)-5-phenyl-3-pyrazolyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[1-(7-chloroquinolin-4-yl)-5-phenylpyrazole-3-carbonyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[1-(7-chloro-4-quinolyl)-5-phenyl-pyrazole-3-carbonyl]amino]-4-methyl-valeric acid Formula: C25H23ClN4O3 MolecularWeight: 462.92812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=NN(C(=C1)C2=CC=CC=C2)C3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C1=NN(C(=C1)C2=CC=CC=C2)C3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C25H23ClN4O3/c1-15(2)12-21(25(32)33)28-24(31)20-14-23(16-6-4-3-5-7-16)30(29-20)22-10-11-27-19-13-17(26)8-9-18(19)22/h3-11,13-15,21H,12H2,1-2H3,(H,28,31)(H,32,33)/t21-/m0/s1