3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chloranyl-4-methyl-phenyl)pyrrolidine-2,5-dione

Systemtic Name: 3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chloranyl-4-methyl-phenyl)pyrrolidine-2,5-dione Openeye Name: 3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chloro-4-methyl-phenyl)pyrrolidine-2,5-dione CAS Name: 3-[4-(1-adamantyl)-1-piperazinyl]-1-(3-chloro-4-methylphenyl)pyrrolidine-2,5-dione IUPAC Name: 3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chloro-4-methylphenyl)pyrrolidine-2,5-dione Traditional Name: 3-[4-(1-adamantyl)piperazino]-1-(3-chloro-4-methyl-phenyl)pyrrolidine-2,5-quinone Formula: C25H32ClN3O2 MolecularWeight: 441.99348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C25H32ClN3O2/c1-16-2-3-20(11-21(16)26)29-23(30)12-22(24(29)31)27-4-6-28(7-5-27)25-13-17-8-18(14-25)10-19(9-17)15-25/h2-3,11,17-19,22H,4-10,12-15H2,1H3