N',N'-diethyl-N-[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]ethane-1,2-diamine trihydrochloride

Systemtic Name: N',N'-diethyl-N-[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]ethane-1,2-diamine trihydrochloride Openeye Name: N',N'-diethyl-N-[2-[(E)-2-(5-nitro-2-furyl)vinyl]-4-quinolyl]ethane-1,2-diamine trihydrochloride CAS Name: N',N'-diethyl-N-[2-[(E)-2-(5-nitro-2-furanyl)ethenyl]-4-quinolinyl]ethane-1,2-diamine trihydrochloride IUPAC Name: N',N'-diethyl-N-[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]ethane-1,2-diamine trihydrochloride Traditional Name: diethyl-[2-[[2-[(E)-2-(5-nitro-2-furyl)vinyl]-4-quinolyl]amino]ethyl]amine trihydrochloride Formula: C21H27Cl3N4O3 MolecularWeight: 489.82308

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=CC(=NC2=CC=CC=C21)C=CC3=CC=C(O3)[N+](=O)[O-].Cl.Cl.Cl

Isomeric SMILES

CCN(CC)CCNC1=CC(=NC2=CC=CC=C21)/C=C/C3=CC=C(O3)[N+](=O)[O-].Cl.Cl.Cl

InChI

InChI=1S/C21H24N4O3.3ClH/c1-3-24(4-2)14-13-22-20-15-16(23-19-8-6-5-7-18(19)20)9-10-17-11-12-21(28-17)25(26)27;;;/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,23);3*1H/b10-9+;;;