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

Systemtic Name: 3-[6-(aminomethyl)-5-[4-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-4H-quinoxalin-2-yl]benzenecarboximidamide Openeye Name: 3-[6-(aminomethyl)-5-[4-(2,6-dimethyl-1-piperidyl)pentyl]-3-oxo-4H-quinoxalin-2-yl]benzamidine CAS Name: 3-[6-(aminomethyl)-5-[4-(2,6-dimethyl-1-piperidinyl)pentyl]-3-oxo-4H-quinoxalin-2-yl]benzenecarboximidamide IUPAC Name: 3-[6-(aminomethyl)-5-[4-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxo-4H-quinoxalin-2-yl]benzenecarboximidamide Traditional Name: 3-[6-(aminomethyl)-5-[4-(2,6-dimethylpiperidino)pentyl]-3-keto-4H-quinoxalin-2-yl]benzamidine Formula: C28H38N6O MolecularWeight: 474.64092

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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)CN)C

Isomeric SMILES

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

InChI

InChI=1S/C28H38N6O/c1-17-7-4-8-18(2)34(17)19(3)9-5-12-23-22(16-29)13-14-24-26(23)33-28(35)25(32-24)20-10-6-11-21(15-20)27(30)31/h6,10-11,13-15,17-19H,4-5,7-9,12,16,29H2,1-3H3,(H3,30,31)(H,33,35)