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

Systemtic Name: N-(2-adamantyl)-2-[4-(pyridin-4-ylcarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide Openeye Name: N-(2-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide CAS Name: N-(2-adamantyl)-2-[4-[[oxo(pyridin-4-yl)methyl]amino]phenyl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-(2-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide Traditional Name: N-(2-adamantyl)-2-(4-isonicotinamidophenyl)-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=CC=NC=C7

Isomeric SMILES

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

InChI

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