2-[3-[5-chloranyl-4-[(4-methylpiperazin-1-yl)amino]-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoic acid

Systemtic Name: 2-[3-[5-chloranyl-4-[(4-methylpiperazin-1-yl)amino]-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoic acid Openeye Name: 2-[3-[5-chloro-4-[(4-methylpiperazin-1-yl)amino]-6-oxo-pyridazin-1-yl]-1-adamantyl]acetic acid CAS Name: 2-[3-[5-chloro-4-[(4-methyl-1-piperazinyl)amino]-6-oxo-1-pyridazinyl]-1-adamantyl]acetic acid IUPAC Name: 2-[3-[5-chloro-4-[(4-methylpiperazin-1-yl)amino]-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid Traditional Name: 2-[3-[5-chloro-6-keto-4-[(4-methylpiperazino)amino]pyridazin-1-yl]-1-adamantyl]acetic acid Formula: C21H30ClN5O3 MolecularWeight: 435.9476

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)O)Cl

Isomeric SMILES

CN1CCN(CC1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)O)Cl

InChI

InChI=1S/C21H30ClN5O3/c1-25-2-4-26(5-3-25)24-16-12-23-27(19(30)18(16)22)21-9-14-6-15(10-21)8-20(7-14,13-21)11-17(28)29/h12,14-15,24H,2-11,13H2,1H3,(H,28,29)