[2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-[1-adamantyl-(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C25H28ClN3O3 MolecularWeight: 453.96112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)N(CC2=CC=C(C=C2)Cl)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)N(CC2=CC=C(C=C2)Cl)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H28ClN3O3/c1-16-12-28-22(13-27-16)24(31)32-15-23(30)29(14-17-2-4-21(26)5-3-17)25-9-18-6-19(10-25)8-20(7-18)11-25/h2-5,12-13,18-20H,6-11,14-15H2,1H3