N,N'-bis(2-methyl-7-nitro-quinolin-4-yl)heptane-1,7-diamine

Systemtic Name: N,N'-bis(2-methyl-7-nitro-quinolin-4-yl)heptane-1,7-diamine Openeye Name: N,N'-bis(2-methyl-7-nitro-4-quinolyl)heptane-1,7-diamine CAS Name: N,N'-bis(2-methyl-7-nitro-4-quinolinyl)heptane-1,7-diamine IUPAC Name: N,N'-bis(2-methyl-7-nitroquinolin-4-yl)heptane-1,7-diamine Traditional Name: (2-methyl-7-nitro-4-quinolyl)-[7-[(2-methyl-7-nitro-4-quinolyl)amino]heptyl]amine Formula: C27H30N6O4 MolecularWeight: 502.5649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C(=C1)NCCCCCCCNC3=CC(=NC4=C3C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C(=C1)NCCCCCCCNC3=CC(=NC4=C3C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C27H30N6O4/c1-18-14-24(22-10-8-20(32(34)35)16-26(22)30-18)28-12-6-4-3-5-7-13-29-25-15-19(2)31-27-17-21(33(36)37)9-11-23(25)27/h8-11,14-17H,3-7,12-13H2,1-2H3,(H,28,30)(H,29,31)