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

Systemtic Name: 2-[4-(2-adamantylcarbamoyl)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(3-pyridyl)-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-[(2-adamantylamino)-oxomethyl]phenyl]-N-(3-pyridinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-(2-adamantylcarbamoyl)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(3-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=CN=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CN=CC=C7

InChI

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