N',N'-diethyl-N-[2-(4-nitrophenyl)quinazolin-4-yl]propane-1,3-diamine hydrochloride

Systemtic Name: N',N'-diethyl-N-[2-(4-nitrophenyl)quinazolin-4-yl]propane-1,3-diamine hydrochloride Openeye Name: N',N'-diethyl-N-[2-(4-nitrophenyl)quinazolin-4-yl]propane-1,3-diamine hydrochloride CAS Name: N',N'-diethyl-N-[2-(4-nitrophenyl)-4-quinazolinyl]propane-1,3-diamine hydrochloride IUPAC Name: N',N'-diethyl-N-[2-(4-nitrophenyl)quinazolin-4-yl]propane-1,3-diamine hydrochloride Traditional Name: diethyl-[3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]propyl]amine hydrochloride Formula: C21H26ClN5O2 MolecularWeight: 415.91644

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

CCN(CC)CCCNC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C21H25N5O2.ClH/c1-3-25(4-2)15-7-14-22-21-18-8-5-6-9-19(18)23-20(24-21)16-10-12-17(13-11-16)26(27)28;/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,22,23,24);1H