6-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]naphthalene-2-carboxylic acid

Systemtic Name: 6-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]naphthalene-2-carboxylic acid Openeye Name: 6-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]naphthalene-2-carboxylic acid CAS Name: 6-[[[1-cyclohexyl-2-(2-phenyl-6-quinoxalinyl)-5-benzimidazolyl]-oxomethyl]amino]-2-naphthalenecarboxylic acid IUPAC Name: 6-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]naphthalene-2-carboxylic acid Traditional Name: 6-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-2-naphthoic acid Formula: C39H31N5O3 MolecularWeight: 617.69514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4=CC5=C(C=C4)C=C(C=C5)C(=O)O)N=C2C6=CC7=NC=C(N=C7C=C6)C8=CC=CC=C8

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4=CC5=C(C=C4)C=C(C=C5)C(=O)O)N=C2C6=CC7=NC=C(N=C7C=C6)C8=CC=CC=C8

InChI

InChI=1S/C39H31N5O3/c45-38(41-30-16-13-25-19-29(39(46)47)12-11-26(25)20-30)28-15-18-36-34(22-28)43-37(44(36)31-9-5-2-6-10-31)27-14-17-32-33(21-27)40-23-35(42-32)24-7-3-1-4-8-24/h1,3-4,7-8,11-23,31H,2,5-6,9-10H2,(H,41,45)(H,46,47)