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

Systemtic Name: 2-[(5S,7R)-3-[5-chloranyl-4-(cyclopentylamino)-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoate Openeye Name: 2-[(5S,7R)-3-[5-chloro-4-(cyclopentylamino)-6-oxo-pyridazin-1-yl]-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-[5-chloro-4-(cyclopentylamino)-6-oxo-1-pyridazinyl]-1-adamantyl]acetate IUPAC Name: 2-[(5S,7R)-3-[5-chloro-4-(cyclopentylamino)-6-oxopyridazin-1-yl]-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-[5-chloro-4-(cyclopentylamino)-6-keto-pyridazin-1-yl]-1-adamantyl]acetate Formula: C21H27ClN3O3- MolecularWeight: 404.91038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)[O-])Cl

Isomeric SMILES

C1CCC(C1)NC2=C(C(=O)N(N=C2)C34C[C@@H]5C[C@H](C3)CC(C5)(C4)CC(=O)[O-])Cl

InChI

InChI=1S/C21H28ClN3O3/c22-18-16(24-15-3-1-2-4-15)11-23-25(19(18)28)21-8-13-5-14(9-21)7-20(6-13,12-21)10-17(26)27/h11,13-15,24H,1-10,12H2,(H,26,27)/p-1/t13-,14+,20?,21?