3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]pyrazine-2-carboxylic acid Openeye Name: 3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]pyrazine-2-carboxylic acid CAS Name: 3-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]pyrazine-2-carboxylic acid Traditional Name: 3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]pyrazinoic acid Formula: C23H24ClN3O3 MolecularWeight: 425.90796

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=NC=CN=C5C(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=NC=CN=C5C(=O)O)Cl

InChI

InChI=1S/C23H24ClN3O3/c24-18-2-1-16(19-20(22(29)30)26-4-3-25-19)8-17(18)21(28)27-12-23-9-13-5-14(10-23)7-15(6-13)11-23/h1-4,8,13-15H,5-7,9-12H2,(H,27,28)(H,29,30)