1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]pyrazin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]pyrazin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]pyrazin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[3-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-2-pyrazinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]pyrazin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]pyrazin-2-yl]isonipecotic acid Formula: C28H33ClN4O3 MolecularWeight: 509.03962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC=CN=C2C3=CC(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC=CN=C2C3=CC(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H33ClN4O3/c29-23-2-1-21(24-25(31-6-5-30-24)33-7-3-20(4-8-33)27(35)36)12-22(23)26(34)32-16-28-13-17-9-18(14-28)11-19(10-17)15-28/h1-2,5-6,12,17-20H,3-4,7-11,13-16H2,(H,32,34)(H,35,36)