3-[5-[4-(2,6-dimethylpiperidin-1-yl)pentyl]-6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl]benzenecarboximidamide

Systemtic Name: 3-[5-[4-(2,6-dimethylpiperidin-1-yl)pentyl]-6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl]benzenecarboximidamide Openeye Name: 3-[5-[4-(2,6-dimethyl-1-piperidyl)pentyl]-6-nitro-3-oxo-4H-quinoxalin-2-yl]benzamidine CAS Name: 3-[5-[4-(2,6-dimethyl-1-piperidinyl)pentyl]-6-nitro-3-oxo-4H-quinoxalin-2-yl]benzenecarboximidamide IUPAC Name: 3-[5-[4-(2,6-dimethylpiperidin-1-yl)pentyl]-6-nitro-3-oxo-4H-quinoxalin-2-yl]benzenecarboximidamide Traditional Name: 3-[5-[4-(2,6-dimethylpiperidino)pentyl]-3-keto-6-nitro-4H-quinoxalin-2-yl]benzamidine Formula: C27H34N6O3 MolecularWeight: 490.59726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(C)CCCC2=C(C=CC3=C2NC(=O)C(=N3)C4=CC(=CC=C4)C(=N)N)[N+](=O)[O-])C

Isomeric SMILES

CC1CCCC(N1C(C)CCCC2=C(C=CC3=C2NC(=O)C(=N3)C4=CC(=CC=C4)C(=N)N)[N+](=O)[O-])C

InChI

InChI=1S/C27H34N6O3/c1-16-7-4-8-17(2)32(16)18(3)9-5-12-21-23(33(35)36)14-13-22-25(21)31-27(34)24(30-22)19-10-6-11-20(15-19)26(28)29/h6,10-11,13-18H,4-5,7-9,12H2,1-3H3,(H3,28,29)(H,31,34)