6-[4-(1-adamantylcarbonyl)piperazin-1-yl]carbonyl-2-(2-phenoxyethyl)pyridazin-3-one

Systemtic Name: 6-[4-(1-adamantylcarbonyl)piperazin-1-yl]carbonyl-2-(2-phenoxyethyl)pyridazin-3-one Openeye Name: 6-[4-(adamantane-1-carbonyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one CAS Name: 6-[[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-2-(2-phenoxyethyl)-3-pyridazinone IUPAC Name: 6-[4-(adamantane-1-carbonyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one Traditional Name: 6-[4-(adamantane-1-carbonyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H34N4O4/c33-25-7-6-24(29-32(25)12-13-36-23-4-2-1-3-5-23)26(34)30-8-10-31(11-9-30)27(35)28-17-20-14-21(18-28)16-22(15-20)19-28/h1-7,20-22H,8-19H2