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

Systemtic Name: 4-[[[3-(3,5-dimethylpyrazol-1-yl)-6-methyl-quinoxalin-2-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[3-(3,5-dimethylpyrazol-1-yl)-6-methyl-quinoxalin-2-yl]amino]methyl]benzoic acid CAS Name: 4-[[[3-(3,5-dimethyl-1-pyrazolyl)-6-methyl-2-quinoxalinyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-(3,5-dimethylpyrazol-1-yl)-6-methyl-quinoxalin-2-yl]amino]methyl]benzoic acid Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=N2)N3C(=CC(=N3)C)C)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=N2)N3C(=CC(=N3)C)C)NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H21N5O2/c1-13-4-9-18-19(10-13)25-21(27-15(3)11-14(2)26-27)20(24-18)23-12-16-5-7-17(8-6-16)22(28)29/h4-11H,12H2,1-3H3,(H,23,24)(H,28,29)