[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C29H39N3O4 MolecularWeight: 493.63766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3CCCN3C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3CCCN3C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H39N3O4/c1-20(26(33)31-12-10-30(11-13-31)24-6-3-2-4-7-24)36-27(34)25-8-5-9-32(25)28(35)29-17-21-14-22(18-29)16-23(15-21)19-29/h2-4,6-7,20-23,25H,5,8-19H2,1H3