N-(2-adamantyl)-2-[4-(pyridin-3-ylcarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-(2-adamantyl)-2-[4-(pyridin-3-ylcarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide Openeye Name: N-(2-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide CAS Name: N-(2-adamantyl)-2-[4-[[oxo(3-pyridinyl)methyl]amino]phenyl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-(2-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide Traditional Name: N-(2-adamantyl)-2-(4-nicotinamidophenyl)-3H-benzimidazole-5-carboxamide Formula: C30H29N5O2 MolecularWeight: 491.58356

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)NC(=O)C7=CN=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)NC(=O)C7=CN=CC=C7

InChI

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