3-[5-chloranyl-6-oxidanylidene-4-(4-phenylpiperazin-1-yl)pyridazin-1-yl]adamantane-1-carboxylic acid

Systemtic Name: 3-[5-chloranyl-6-oxidanylidene-4-(4-phenylpiperazin-1-yl)pyridazin-1-yl]adamantane-1-carboxylic acid Openeye Name: 3-[5-chloro-6-oxo-4-(4-phenylpiperazin-1-yl)pyridazin-1-yl]adamantane-1-carboxylic acid CAS Name: 3-[5-chloro-6-oxo-4-(4-phenyl-1-piperazinyl)-1-pyridazinyl]-1-adamantanecarboxylic acid IUPAC Name: 3-[5-chloro-6-oxo-4-(4-phenylpiperazin-1-yl)pyridazin-1-yl]adamantane-1-carboxylic acid Traditional Name: 3-[5-chloro-6-keto-4-(4-phenylpiperazino)pyridazin-1-yl]adamantane-1-carboxylic acid Formula: C25H29ClN4O3 MolecularWeight: 468.97576

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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)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN4O3/c26-21-20(29-8-6-28(7-9-29)19-4-2-1-3-5-19)15-27-30(22(21)31)25-13-17-10-18(14-25)12-24(11-17,16-25)23(32)33/h1-5,15,17-18H,6-14,16H2,(H,32,33)