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

Systemtic Name: 2-[3-[5-chloranyl-6-oxidanylidene-4-(4-phenylpiperazin-1-yl)pyridazin-1-yl]-1-adamantyl]ethanoic acid Openeye Name: 2-[3-[5-chloro-6-oxo-4-(4-phenylpiperazin-1-yl)pyridazin-1-yl]-1-adamantyl]acetic acid CAS Name: 2-[3-[5-chloro-6-oxo-4-(4-phenyl-1-piperazinyl)-1-pyridazinyl]-1-adamantyl]acetic acid IUPAC Name: 2-[3-[5-chloro-6-oxo-4-(4-phenylpiperazin-1-yl)pyridazin-1-yl]-1-adamantyl]acetic acid Traditional Name: 2-[3-[5-chloro-6-keto-4-(4-phenylpiperazino)pyridazin-1-yl]-1-adamantyl]acetic acid Formula: C26H31ClN4O3 MolecularWeight: 483.00234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)N(N=C3)C45CC6CC(C4)CC(C6)(C5)CC(=O)O)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)N(N=C3)C45CC6CC(C4)CC(C6)(C5)CC(=O)O)Cl

InChI

InChI=1S/C26H31ClN4O3/c27-23-21(30-8-6-29(7-9-30)20-4-2-1-3-5-20)16-28-31(24(23)34)26-13-18-10-19(14-26)12-25(11-18,17-26)15-22(32)33/h1-5,16,18-19H,6-15,17H2,(H,32,33)