2-[4-(2-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: 2-[4-(2-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(2-pyridyl)-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-[(2-adamantylamino)-oxomethyl]phenyl]-N-(2-pyridinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-(2-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(2-pyridyl)-3H-benzimidazole-5-carboxamide Formula: C30H29N5O2 MolecularWeight: 491.58356

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7

InChI

InChI=1S/C30H29N5O2/c36-29(35-27-22-12-17-11-18(14-22)15-23(27)13-17)20-6-4-19(5-7-20)28-32-24-9-8-21(16-25(24)33-28)30(37)34-26-3-1-2-10-31-26/h1-10,16-18,22-23,27H,11-15H2,(H,32,33)(H,35,36)(H,31,34,37)