4-[[[6-chloranyl-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[6-chloranyl-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[6-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]methyl]benzoic acid CAS Name: 4-[[[6-chloro-3-(3,5-dimethyl-1-pyrazolyl)-2-quinoxalinyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[6-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[6-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]methyl]benzoic acid Formula: C21H18ClN5O2 MolecularWeight: 407.85292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(C=CC(=C3)Cl)N=C2NCC4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(C=CC(=C3)Cl)N=C2NCC4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C21H18ClN5O2/c1-12-9-13(2)27(26-12)20-19(24-17-8-7-16(22)10-18(17)25-20)23-11-14-3-5-15(6-4-14)21(28)29/h3-10H,11H2,1-2H3,(H,23,24)(H,28,29)