2-(1-adamantyl)-4-chloranyl-5-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-[4-(2,5-dimethylphenyl)piperazino]pyridazin-3-one Formula: C26H33ClN4O MolecularWeight: 453.01942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C(=O)N(N=C3)C45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C(=O)N(N=C3)C45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C26H33ClN4O/c1-17-3-4-18(2)22(9-17)29-5-7-30(8-6-29)23-16-28-31(25(32)24(23)27)26-13-19-10-20(14-26)12-21(11-19)15-26/h3-4,9,16,19-21H,5-8,10-15H2,1-2H3