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

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-[4-(5-chloro-2-methyl-phenyl)piperazino]pyridazin-3-one Formula: C25H30Cl2N4O MolecularWeight: 473.4379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30Cl2N4O/c1-16-2-3-20(26)11-21(16)29-4-6-30(7-5-29)22-15-28-31(24(32)23(22)27)25-12-17-8-18(13-25)10-19(9-17)14-25/h2-3,11,15,17-19H,4-10,12-14H2,1H3