(2S,5S,7R)-1-[5-chloranyl-4-[(2-methoxyphenyl)methylamino]-6-oxidanylidene-pyridazin-1-yl]adamantane-2-carboxylate

Systemtic Name: (2S,5S,7R)-1-[5-chloranyl-4-[(2-methoxyphenyl)methylamino]-6-oxidanylidene-pyridazin-1-yl]adamantane-2-carboxylate Openeye Name: (2S,5S,7R)-1-[5-chloro-4-[(2-methoxyphenyl)methylamino]-6-oxo-pyridazin-1-yl]adamantane-2-carboxylate CAS Name: (2S,5S,7R)-1-[5-chloro-4-[(2-methoxyphenyl)methylamino]-6-oxo-1-pyridazinyl]-2-adamantanecarboxylate IUPAC Name: (2S,5S,7R)-1-[5-chloro-4-[(2-methoxyphenyl)methylamino]-6-oxopyridazin-1-yl]adamantane-2-carboxylate Traditional Name: (2S,5S,7R)-1-[5-chloro-6-keto-4-(o-anisylamino)pyridazin-1-yl]adamantane-2-carboxylate Formula: C23H25ClN3O4- MolecularWeight: 442.9153

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4C(=O)[O-])Cl

Isomeric SMILES

COC1=CC=CC=C1CNC2=C(C(=O)N(N=C2)C34C[C@@H]5C[C@H](C3)CC(C5)[C@@H]4C(=O)[O-])Cl

InChI

InChI=1S/C23H26ClN3O4/c1-31-18-5-3-2-4-15(18)11-25-17-12-26-27(21(28)20(17)24)23-9-13-6-14(10-23)8-16(7-13)19(23)22(29)30/h2-5,12-14,16,19,25H,6-11H2,1H3,(H,29,30)/p-1/t13-,14+,16?,19-,23?/m1/s1