N,N'-bis(7-nitroquinazolin-4-yl)dodecane-1,12-diamine

Systemtic Name: N,N'-bis(7-nitroquinazolin-4-yl)dodecane-1,12-diamine Openeye Name: N,N'-bis(7-nitroquinazolin-4-yl)dodecane-1,12-diamine CAS Name: N,N'-bis(7-nitro-4-quinazolinyl)dodecane-1,12-diamine IUPAC Name: N,N'-bis(7-nitroquinazolin-4-yl)dodecane-1,12-diamine Traditional Name: (7-nitroquinazolin-4-yl)-[12-[(7-nitroquinazolin-4-yl)amino]dodecyl]amine Formula: C28H34N8O4 MolecularWeight: 546.62076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N=CN=C2NCCCCCCCCCCCCNC3=NC=NC4=C3C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N=CN=C2NCCCCCCCCCCCCNC3=NC=NC4=C3C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H34N8O4/c37-35(38)21-11-13-23-25(17-21)31-19-33-27(23)29-15-9-7-5-3-1-2-4-6-8-10-16-30-28-24-14-12-22(36(39)40)18-26(24)32-20-34-28/h11-14,17-20H,1-10,15-16H2,(H,29,31,33)(H,30,32,34)