N-(1-adamantyl)-2-[4-(pyridin-4-ylcarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-(1-adamantyl)-2-[4-(pyridin-4-ylcarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide Openeye Name: N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide CAS Name: N-(1-adamantyl)-2-[4-[[oxo(pyridin-4-yl)methyl]amino]phenyl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide Traditional Name: N-(1-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)(C3)NC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)NC(=O)C7=CC=NC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)NC(=O)C7=CC=NC=C7

InChI

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