6-[[3-(diethylaminomethyl)-4-oxidanyl-phenyl]amino]-2,4-dimethyl-quinoline-5,8-dione dihydrochloride

Systemtic Name: 6-[[3-(diethylaminomethyl)-4-oxidanyl-phenyl]amino]-2,4-dimethyl-quinoline-5,8-dione dihydrochloride Openeye Name: 6-[3-(diethylaminomethyl)-4-hydroxy-anilino]-2,4-dimethyl-quinoline-5,8-dione dihydrochloride CAS Name: 6-[3-(diethylaminomethyl)-4-hydroxyanilino]-2,4-dimethylquinoline-5,8-dione dihydrochloride IUPAC Name: 6-[3-(diethylaminomethyl)-4-hydroxyanilino]-2,4-dimethylquinoline-5,8-dione dihydrochloride Traditional Name: 6-[3-(diethylaminomethyl)-4-hydroxy-anilino]-2,4-dimethyl-quinoline-5,8-quinone dihydrochloride Formula: C22H27Cl2N3O3 MolecularWeight: 452.37408

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=CC(=C1)NC2=CC(=O)C3=C(C2=O)C(=CC(=N3)C)C)O.Cl.Cl

Isomeric SMILES

CCN(CC)CC1=C(C=CC(=C1)NC2=CC(=O)C3=C(C2=O)C(=CC(=N3)C)C)O.Cl.Cl

InChI

InChI=1S/C22H25N3O3.2ClH/c1-5-25(6-2)12-15-10-16(7-8-18(15)26)24-17-11-19(27)21-20(22(17)28)13(3)9-14(4)23-21;;/h7-11,24,26H,5-6,12H2,1-4H3;2*1H