N'-(2-methyl-7-nitro-quinolin-4-yl)-N-[3-[(2-methyl-7-nitro-quinolin-4-yl)amino]propyl]butane-1,4-diamine

Systemtic Name: N'-(2-methyl-7-nitro-quinolin-4-yl)-N-[3-[(2-methyl-7-nitro-quinolin-4-yl)amino]propyl]butane-1,4-diamine Openeye Name: N'-(2-methyl-7-nitro-4-quinolyl)-N-[3-[(2-methyl-7-nitro-4-quinolyl)amino]propyl]butane-1,4-diamine CAS Name: N'-(2-methyl-7-nitro-4-quinolinyl)-N-[3-[(2-methyl-7-nitro-4-quinolinyl)amino]propyl]butane-1,4-diamine IUPAC Name: N'-(2-methyl-7-nitroquinolin-4-yl)-N-[3-[(2-methyl-7-nitroquinolin-4-yl)amino]propyl]butane-1,4-diamine Traditional Name: (2-methyl-7-nitro-4-quinolyl)-[3-[4-[(2-methyl-7-nitro-4-quinolyl)amino]butylamino]propyl]amine Formula: C27H31N7O4 MolecularWeight: 517.57954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C(=C1)NCCCCNCCCNC3=CC(=NC4=C3C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C(=C1)NCCCCNCCCNC3=CC(=NC4=C3C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C27H31N7O4/c1-18-14-24(22-8-6-20(33(35)36)16-26(22)31-18)29-12-4-3-10-28-11-5-13-30-25-15-19(2)32-27-17-21(34(37)38)7-9-23(25)27/h6-9,14-17,28H,3-5,10-13H2,1-2H3,(H,29,31)(H,30,32)