[2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate

Systemtic Name: [2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate Openeye Name: [2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxo-ethyl] 6-oxo-1-propyl-pyridazine-3-carboxylate CAS Name: 6-oxo-1-propyl-3-pyridazinecarboxylic acid [2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate Traditional Name: 6-keto-1-propyl-pyridazine-3-carboxylic acid [2-[1-adamantyl-(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C27H32ClN3O4 MolecularWeight: 498.01368

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)N(CC2=CC=C(C=C2)Cl)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)N(CC2=CC=C(C=C2)Cl)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H32ClN3O4/c1-2-9-31-24(32)8-7-23(29-31)26(34)35-17-25(33)30(16-18-3-5-22(28)6-4-18)27-13-19-10-20(14-27)12-21(11-19)15-27/h3-8,19-21H,2,9-17H2,1H3