4-(3-azanylpropyl)-5-(2-phenylquinolin-4-yl)-1,2-dihydropyrazol-3-one

Systemtic Name: 4-(3-azanylpropyl)-5-(2-phenylquinolin-4-yl)-1,2-dihydropyrazol-3-one Openeye Name: 4-(3-aminopropyl)-5-(2-phenyl-4-quinolyl)-1,2-dihydropyrazol-3-one CAS Name: 4-(3-aminopropyl)-5-(2-phenyl-4-quinolinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-(3-aminopropyl)-5-(2-phenylquinolin-4-yl)-1,2-dihydropyrazol-3-one Traditional Name: 4-(3-aminopropyl)-5-(2-phenyl-4-quinolyl)-3-pyrazolin-3-one Formula: C21H20N4O MolecularWeight: 344.4097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=C(C(=O)NN4)CCCN

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=C(C(=O)NN4)CCCN

InChI

InChI=1S/C21H20N4O/c22-12-6-10-16-20(24-25-21(16)26)17-13-19(14-7-2-1-3-8-14)23-18-11-5-4-9-15(17)18/h1-5,7-9,11,13H,6,10,12,22H2,(H2,24,25,26)