5-[4-(1-adamantylcarbonyl)piperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one

Systemtic Name: 5-[4-(1-adamantylcarbonyl)piperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one Openeye Name: 5-[4-(adamantane-1-carbonyl)piperazin-1-yl]-4-chloro-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-4-chloro-2-phenyl-3-pyridazinone IUPAC Name: 5-[4-(adamantane-1-carbonyl)piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one Traditional Name: 5-[4-(adamantane-1-carbonyl)piperazino]-4-chloro-2-phenyl-pyridazin-3-one Formula: C25H29ClN4O2 MolecularWeight: 452.97636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN4O2/c26-22-21(16-27-30(23(22)31)20-4-2-1-3-5-20)28-6-8-29(9-7-28)24(32)25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,16-19H,6-15H2