2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-quinoxaline-6-carboxylic acid

Systemtic Name: 2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-quinoxaline-6-carboxylic acid Openeye Name: 2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethyl-1-piperidyl)pentyl]-3-oxo-quinoxaline-6-carboxylic acid CAS Name: 2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethyl-1-piperidinyl)pentyl]-3-oxo-6-quinoxalinecarboxylic acid IUPAC Name: 2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxoquinoxaline-6-carboxylic acid Traditional Name: 2-(3-amidinophenyl)-4-[5-(2,6-dimethylpiperidino)pentyl]-3-keto-quinoxaline-6-carboxylic acid Formula: C28H35N5O3 MolecularWeight: 489.6092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CCCCCN2C3=C(C=CC(=C3)C(=O)O)N=C(C2=O)C4=CC(=CC=C4)C(=N)N)C

Isomeric SMILES

CC1CCCC(N1CCCCCN2C3=C(C=CC(=C3)C(=O)O)N=C(C2=O)C4=CC(=CC=C4)C(=N)N)C

InChI

InChI=1S/C28H35N5O3/c1-18-8-6-9-19(2)32(18)14-4-3-5-15-33-24-17-22(28(35)36)12-13-23(24)31-25(27(33)34)20-10-7-11-21(16-20)26(29)30/h7,10-13,16-19H,3-6,8-9,14-15H2,1-2H3,(H3,29,30)(H,35,36)