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

Systemtic Name: 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-[(2-adamantylamino)-oxomethyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide Formula: C32H32N4O3 MolecularWeight: 520.62148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)C(=O)NC5C6CC7CC(C6)CC5C7

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)C(=O)NC5C6CC7CC(C6)CC5C7

InChI

InChI=1S/C32H32N4O3/c1-39-26-9-7-25(8-10-26)33-32(38)22-6-11-27-28(17-22)35-30(34-27)20-2-4-21(5-3-20)31(37)36-29-23-13-18-12-19(15-23)16-24(29)14-18/h2-11,17-19,23-24,29H,12-16H2,1H3,(H,33,38)(H,34,35)(H,36,37)