N',N'-diethyl-N-[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]ethane-1,2-diamine

Systemtic Name: N',N'-diethyl-N-[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]ethane-1,2-diamine Openeye Name: N',N'-diethyl-N-[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]ethane-1,2-diamine CAS Name: N',N'-diethyl-N-[4-(4-methoxy-3-nitrophenyl)-1-phthalazinyl]ethane-1,2-diamine IUPAC Name: N',N'-diethyl-N-[4-(4-methoxy-3-nitrophenyl)phthalazin-1-yl]ethane-1,2-diamine Traditional Name: diethyl-[2-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]ethyl]amine Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NN=C(C2=CC=CC=C21)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCNC1=NN=C(C2=CC=CC=C21)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O3/c1-4-25(5-2)13-12-22-21-17-9-7-6-8-16(17)20(23-24-21)15-10-11-19(29-3)18(14-15)26(27)28/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,24)