N1'-azanyl-6-[3-(2,6-dimethylpiperidin-1-yl)pentyl]-2-oxidanylidene-6-quinoxalin-2-yl-cyclohex-3-ene-1,3-dicarboximidamide

Systemtic Name: N1'-azanyl-6-[3-(2,6-dimethylpiperidin-1-yl)pentyl]-2-oxidanylidene-6-quinoxalin-2-yl-cyclohex-3-ene-1,3-dicarboximidamide Openeye Name: N1'-amino-6-[3-(2,6-dimethyl-1-piperidyl)pentyl]-2-oxo-6-quinoxalin-2-yl-cyclohex-3-ene-1,3-dicarboxamidine CAS Name: N1'-amino-6-[3-(2,6-dimethyl-1-piperidinyl)pentyl]-2-oxo-6-(2-quinoxalinyl)cyclohex-3-ene-1,3-dicarboximidamide IUPAC Name: 1-N'-amino-6-[3-(2,6-dimethylpiperidin-1-yl)pentyl]-2-oxo-6-quinoxalin-2-ylcyclohex-3-ene-1,3-dicarboximidamide Traditional Name: N1'-amino-6-[3-(2,6-dimethylpiperidino)pentyl]-2-keto-6-quinoxalin-2-yl-cyclohex-3-ene-1,3-dicarboxamidine Formula: C28H40N8O MolecularWeight: 504.6702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1(CC=C(C(=O)C1C(=NN)N)C(=N)N)C2=NC3=CC=CC=C3N=C2)N4C(CCCC4C)C

Isomeric SMILES

CCC(CCC1(CC=C(C(=O)C1/C(=N\N)/N)C(=N)N)C2=NC3=CC=CC=C3N=C2)N4C(CCCC4C)C

InChI

InChI=1S/C28H40N8O/c1-4-19(36-17(2)8-7-9-18(36)3)12-14-28(23-16-33-21-10-5-6-11-22(21)34-23)15-13-20(26(29)30)25(37)24(28)27(31)35-32/h5-6,10-11,13,16-19,24H,4,7-9,12,14-15,32H2,1-3H3,(H3,29,30)(H2,31,35)