2-(3-azanylpropyl)-5-(2-quinolin-3-ylpyridin-4-yl)pyrazole-3-carboxylic acid dihydrochloride

Systemtic Name: 2-(3-azanylpropyl)-5-(2-quinolin-3-ylpyridin-4-yl)pyrazole-3-carboxylic acid dihydrochloride Openeye Name: 2-(3-aminopropyl)-5-[2-(3-quinolyl)-4-pyridyl]pyrazole-3-carboxylic acid dihydrochloride CAS Name: 2-(3-aminopropyl)-5-[2-(3-quinolinyl)-4-pyridinyl]-3-pyrazolecarboxylic acid dihydrochloride IUPAC Name: 2-(3-aminopropyl)-5-(2-quinolin-3-ylpyridin-4-yl)pyrazole-3-carboxylic acid dihydrochloride Traditional Name: 2-(3-aminopropyl)-5-[2-(3-quinolyl)-4-pyridyl]pyrazole-3-carboxylic acid dihydrochloride Formula: C21H21Cl2N5O2 MolecularWeight: 446.32974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)C3=NC=CC(=C3)C4=NN(C(=C4)C(=O)O)CCCN.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)C3=NC=CC(=C3)C4=NN(C(=C4)C(=O)O)CCCN.Cl.Cl

InChI

InChI=1S/C21H19N5O2.2ClH/c22-7-3-9-26-20(21(27)28)12-19(25-26)15-6-8-23-18(11-15)16-10-14-4-1-2-5-17(14)24-13-16;;/h1-2,4-6,8,10-13H,3,7,9,22H2,(H,27,28);2*1H