1-[4-[2-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[2-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[4-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxo-ethyl]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[2-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[4-[2-[4-(adamantane-1-carbonyl)piperazino]-2-keto-ethyl]phenyl]-2-pyrrolidone Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CC(=O)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CC(=O)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H35N3O3/c31-24-2-1-7-30(24)23-5-3-19(4-6-23)15-25(32)28-8-10-29(11-9-28)26(33)27-16-20-12-21(17-27)14-22(13-20)18-27/h3-6,20-22H,1-2,7-18H2