2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)methylamino]-6-phenyl-benzoic acid

Systemtic Name: 2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)methylamino]-6-phenyl-benzoic acid Openeye Name: 2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)methylamino]-6-phenyl-benzoic acid CAS Name: 2-[(5-ethyl-7-pyrazolo[1,5-a]pyrimidinyl)methylamino]-6-phenylbenzoic acid IUPAC Name: 2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)methylamino]-6-phenylbenzoic acid Traditional Name: 2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)methylamino]-6-phenyl-benzoic acid Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=NN2C(=C1)CNC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=CC=NN2C(=C1)CNC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2/c1-2-16-13-17(26-20(25-16)11-12-24-26)14-23-19-10-6-9-18(21(19)22(27)28)15-7-4-3-5-8-15/h3-13,23H,2,14H2,1H3,(H,27,28)