2-[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[[1-cyclohexyl-2-(2-phenyl-6-quinoxalinyl)-5-benzimidazolyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C38H33N5O3 MolecularWeight: 607.70032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N4CC5=CC=CC=C5CC4C(=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)N4CC5=CC=CC=C5CC4C(=O)O)N=C2C6=CC7=NC=C(N=C7C=C6)C8=CC=CC=C8

InChI

InChI=1S/C38H33N5O3/c44-37(42-23-28-12-8-7-11-25(28)21-35(42)38(45)46)27-16-18-34-32(20-27)41-36(43(34)29-13-5-2-6-14-29)26-15-17-30-31(19-26)39-22-33(40-30)24-9-3-1-4-10-24/h1,3-4,7-12,15-20,22,29,35H,2,5-6,13-14,21,23H2,(H,45,46)