1-(4-ethylphenyl)-3-quinolin-4-yl-urea; propan-2-amine; dihydrochloride

Systemtic Name: 1-(4-ethylphenyl)-3-quinolin-4-yl-urea; propan-2-amine; dihydrochloride Openeye Name: 1-(4-ethylphenyl)-3-(4-quinolyl)urea; propan-2-amine; dihydrochloride CAS Name: 1-(4-ethylphenyl)-3-(4-quinolinyl)urea; 2-propanamine; dihydrochloride IUPAC Name: 1-(4-ethylphenyl)-3-quinolin-4-ylurea; propan-2-amine; dihydrochloride Traditional Name: 1-(4-ethylphenyl)-3-(4-quinolyl)urea; isopropylamine; dihydrochloride Formula: C21H28Cl2N4O MolecularWeight: 423.37922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)NC2=CC=NC3=CC=CC=C32.CC(C)N.Cl.Cl

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)NC2=CC=NC3=CC=CC=C32.CC(C)N.Cl.Cl

InChI

InChI=1S/C18H17N3O.C3H9N.2ClH/c1-2-13-7-9-14(10-8-13)20-18(22)21-17-11-12-19-16-6-4-3-5-15(16)17;1-3(2)4;;/h3-12H,2H2,1H3,(H2,19,20,21,22);3H,4H2,1-2H3;2*1H