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

Systemtic Name: 2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(3-pyridyl)-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-[(1-adamantylamino)-oxomethyl]phenyl]-N-(3-pyridinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-(1-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)(C3)NC(=O)C4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CN=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CN=CC=C7

InChI

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