1-[5-chloranyl-4-(4-ethylpiperazin-1-yl)-6-oxidanylidene-pyridazin-1-yl]adamantane-2-carboxylic acid

Systemtic Name: 1-[5-chloranyl-4-(4-ethylpiperazin-1-yl)-6-oxidanylidene-pyridazin-1-yl]adamantane-2-carboxylic acid Openeye Name: 1-[5-chloro-4-(4-ethylpiperazin-1-yl)-6-oxo-pyridazin-1-yl]adamantane-2-carboxylic acid CAS Name: 1-[5-chloro-4-(4-ethyl-1-piperazinyl)-6-oxo-1-pyridazinyl]-2-adamantanecarboxylic acid IUPAC Name: 1-[5-chloro-4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid Traditional Name: 1-[5-chloro-4-(4-ethylpiperazino)-6-keto-pyridazin-1-yl]adamantane-2-carboxylic acid Formula: C21H29ClN4O3 MolecularWeight: 420.93296

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4C(=O)O)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4C(=O)O)Cl

InChI

InChI=1S/C21H29ClN4O3/c1-2-24-3-5-25(6-4-24)16-12-23-26(19(27)18(16)22)21-10-13-7-14(11-21)9-15(8-13)17(21)20(28)29/h12-15,17H,2-11H2,1H3,(H,28,29)