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

Systemtic Name: 3-[6-azanyl-5-[4-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-4H-quinoxalin-2-yl]benzenecarboximidamide Openeye Name: 3-[6-amino-5-[4-(2,6-dimethyl-1-piperidyl)pentyl]-3-oxo-4H-quinoxalin-2-yl]benzamidine CAS Name: 3-[6-amino-5-[4-(2,6-dimethyl-1-piperidinyl)pentyl]-3-oxo-4H-quinoxalin-2-yl]benzenecarboximidamide IUPAC Name: 3-[6-amino-5-[4-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxo-4H-quinoxalin-2-yl]benzenecarboximidamide Traditional Name: 3-[6-amino-5-[4-(2,6-dimethylpiperidino)pentyl]-3-keto-4H-quinoxalin-2-yl]benzamidine Formula: C27H36N6O MolecularWeight: 460.61434

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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)C

Isomeric SMILES

CC1CCCC(N1C(C)CCCC2=C(C=CC3=C2NC(=O)C(=N3)C4=CC(=CC=C4)C(=N)N)N)C

InChI

InChI=1S/C27H36N6O/c1-16-7-4-8-17(2)33(16)18(3)9-5-12-21-22(28)13-14-23-25(21)32-27(34)24(31-23)19-10-6-11-20(15-19)26(29)30/h6,10-11,13-18H,4-5,7-9,12,28H2,1-3H3,(H3,29,30)(H,32,34)