2-[(5S,7R)-3-[5-chloranyl-4-(cycloheptylamino)-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoate

Systemtic Name: 2-[(5S,7R)-3-[5-chloranyl-4-(cycloheptylamino)-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoate Openeye Name: 2-[(5S,7R)-3-[5-chloro-4-(cycloheptylamino)-6-oxo-pyridazin-1-yl]-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-[5-chloro-4-(cycloheptylamino)-6-oxo-1-pyridazinyl]-1-adamantyl]acetate IUPAC Name: 2-[(5S,7R)-3-[5-chloro-4-(cycloheptylamino)-6-oxopyridazin-1-yl]-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-[5-chloro-4-(cycloheptylamino)-6-keto-pyridazin-1-yl]-1-adamantyl]acetate Formula: C23H31ClN3O3- MolecularWeight: 432.96354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)[O-])Cl

Isomeric SMILES

C1CCCC(CC1)NC2=C(C(=O)N(N=C2)C34C[C@@H]5C[C@H](C3)CC(C5)(C4)CC(=O)[O-])Cl

InChI

InChI=1S/C23H32ClN3O3/c24-20-18(26-17-5-3-1-2-4-6-17)13-25-27(21(20)30)23-10-15-7-16(11-23)9-22(8-15,14-23)12-19(28)29/h13,15-17,26H,1-12,14H2,(H,28,29)/p-1/t15-,16+,22?,23?