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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC2=C(C=C1)N=C(C(=O)N2CCCCCN3C(CCCC3C)C)C4=CC(=CC=C4)C(=N)N

Isomeric SMILES

CCCCNC1=CC2=C(C=C1)N=C(C(=O)N2CCCCCN3C(CCCC3C)C)C4=CC(=CC=C4)C(=N)N

InChI

InChI=1S/C31H44N6O/c1-4-5-17-34-26-15-16-27-28(21-26)37(19-8-6-7-18-36-22(2)11-9-12-23(36)3)31(38)29(35-27)24-13-10-14-25(20-24)30(32)33/h10,13-16,20-23,34H,4-9,11-12,17-19H2,1-3H3,(H3,32,33)