(5S,7R)-3-[5-chloranyl-4-[(2-methoxy-5-methyl-phenyl)amino]-6-oxidanylidene-pyridazin-1-yl]adamantane-1-carboxylate

Systemtic Name: (5S,7R)-3-[5-chloranyl-4-[(2-methoxy-5-methyl-phenyl)amino]-6-oxidanylidene-pyridazin-1-yl]adamantane-1-carboxylate Openeye Name: (5S,7R)-3-[5-chloro-4-(2-methoxy-5-methyl-anilino)-6-oxo-pyridazin-1-yl]adamantane-1-carboxylate CAS Name: (5S,7R)-3-[5-chloro-4-(2-methoxy-5-methylanilino)-6-oxo-1-pyridazinyl]-1-adamantanecarboxylate IUPAC Name: (5S,7R)-3-[5-chloro-4-(2-methoxy-5-methylanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylate Traditional Name: (5S,7R)-3-[5-chloro-6-keto-4-(2-methoxy-5-methyl-anilino)pyridazin-1-yl]adamantane-1-carboxylate Formula: C23H25ClN3O4- MolecularWeight: 442.9153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=C(C(=O)N(N=C2)C34C[C@@H]5C[C@H](C3)CC(C5)(C4)C(=O)[O-])Cl

InChI

InChI=1S/C23H26ClN3O4/c1-13-3-4-18(31-2)16(5-13)26-17-11-25-27(20(28)19(17)24)23-9-14-6-15(10-23)8-22(7-14,12-23)21(29)30/h3-5,11,14-15,26H,6-10,12H2,1-2H3,(H,29,30)/p-1/t14-,15+,22?,23?