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

Systemtic Name: 2-[(5S,7R)-3-[5-chloranyl-6-oxidanylidene-4-(propan-2-ylamino)pyridazin-1-yl]-1-adamantyl]ethanoate Openeye Name: 2-[(5S,7R)-3-[5-chloro-4-(isopropylamino)-6-oxo-pyridazin-1-yl]-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-[5-chloro-6-oxo-4-(propan-2-ylamino)-1-pyridazinyl]-1-adamantyl]acetate IUPAC Name: 2-[(5S,7R)-3-[5-chloro-6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-[5-chloro-4-(isopropylamino)-6-keto-pyridazin-1-yl]-1-adamantyl]acetate Formula: C19H25ClN3O3- MolecularWeight: 378.8731

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C(=O)N(N=C1)C23CC4CC(C2)CC(C4)(C3)CC(=O)[O-])Cl

Isomeric SMILES

CC(C)NC1=C(C(=O)N(N=C1)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)CC(=O)[O-])Cl

InChI

InChI=1S/C19H26ClN3O3/c1-11(2)22-14-9-21-23(17(26)16(14)20)19-6-12-3-13(7-19)5-18(4-12,10-19)8-15(24)25/h9,11-13,22H,3-8,10H2,1-2H3,(H,24,25)/p-1/t12-,13+,18?,19?