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

Systemtic Name: 3-[6-(butylamino)-5-[4-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-4H-quinoxalin-2-yl]benzenecarboximidamide Openeye Name: 3-[6-(butylamino)-5-[4-(2,6-dimethyl-1-piperidyl)pentyl]-3-oxo-4H-quinoxalin-2-yl]benzamidine CAS Name: 3-[6-(butylamino)-5-[4-(2,6-dimethyl-1-piperidinyl)pentyl]-3-oxo-4H-quinoxalin-2-yl]benzenecarboximidamide IUPAC Name: 3-[6-(butylamino)-5-[4-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxo-4H-quinoxalin-2-yl]benzenecarboximidamide Traditional Name: 3-[6-(butylamino)-5-[4-(2,6-dimethylpiperidino)pentyl]-3-keto-4H-quinoxalin-2-yl]benzamidine Formula: C31H44N6O MolecularWeight: 516.72066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C2=C(C=C1)N=C(C(=O)N2)C3=CC(=CC=C3)C(=N)N)CCCC(C)N4C(CCCC4C)C

Isomeric SMILES

CCCCNC1=C(C2=C(C=C1)N=C(C(=O)N2)C3=CC(=CC=C3)C(=N)N)CCCC(C)N4C(CCCC4C)C

InChI

InChI=1S/C31H44N6O/c1-5-6-18-34-26-16-17-27-29(25(26)15-8-12-22(4)37-20(2)10-7-11-21(37)3)36-31(38)28(35-27)23-13-9-14-24(19-23)30(32)33/h9,13-14,16-17,19-22,34H,5-8,10-12,15,18H2,1-4H3,(H3,32,33)(H,36,38)