4-[5-azanyl-3-(morpholin-4-ylmethyl)-4-phenyl-pyrazol-1-yl]benzoic acid; sulfuric acid

Systemtic Name: 4-[5-azanyl-3-(morpholin-4-ylmethyl)-4-phenyl-pyrazol-1-yl]benzoic acid; sulfuric acid Openeye Name: 4-[5-amino-3-(morpholinomethyl)-4-phenyl-pyrazol-1-yl]benzoic acid; sulfuric acid CAS Name: 4-[5-amino-3-(4-morpholinylmethyl)-4-phenyl-1-pyrazolyl]benzoic acid; sulfuric acid IUPAC Name: 4-[5-amino-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-1-yl]benzoic acid; sulfuric acid Traditional Name: 4-[5-amino-3-(morpholinomethyl)-4-phenyl-pyrazol-1-yl]benzoic acid; sulfuric acid Formula: C21H24N4O7S MolecularWeight: 476.50286

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=NN(C(=C2C3=CC=CC=C3)N)C4=CC=C(C=C4)C(=O)O.OS(=O)(=O)O

Isomeric SMILES

C1COCCN1CC2=NN(C(=C2C3=CC=CC=C3)N)C4=CC=C(C=C4)C(=O)O.OS(=O)(=O)O

InChI

InChI=1S/C21H22N4O3.H2O4S/c22-20-19(15-4-2-1-3-5-15)18(14-24-10-12-28-13-11-24)23-25(20)17-8-6-16(7-9-17)21(26)27;1-5(2,3)4/h1-9H,10-14,22H2,(H,26,27);(H2,1,2,3,4)