N-[[4-[2-(pyrazin-2-ylamino)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[2-(pyrazin-2-ylamino)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[2-(pyrazin-2-ylamino)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[oxo-[2-(2-pyrazinylamino)ethylamino]methyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[2-(pyrazin-2-ylamino)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[2-(pyrazin-2-ylamino)ethylcarbamoyl]benzyl]adamantane-1-carboxamide Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NCCNC5=NC=CN=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NCCNC5=NC=CN=C5

InChI

InChI=1S/C25H31N5O2/c31-23(29-8-7-28-22-16-26-5-6-27-22)21-3-1-17(2-4-21)15-30-24(32)25-12-18-9-19(13-25)11-20(10-18)14-25/h1-6,16,18-20H,7-15H2,(H,27,28)(H,29,31)(H,30,32)