1-(1-adamantylcarbonyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(1-adamantylcarbonyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide Openeye Name: 1-(adamantane-1-carbonyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide CAS Name: 1-[1-adamantyl(oxo)methyl]-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(adamantane-1-carbonyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide Traditional Name: 1-(adamantane-1-carbonyl)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]pyrrolidine-2-carboxamide Formula: C27H40N6O2 MolecularWeight: 480.6455

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NCCCN5CCN(CC5)C6=NC=CC=N6

Isomeric SMILES

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NCCCN5CCN(CC5)C6=NC=CC=N6

InChI

InChI=1S/C27H40N6O2/c34-24(28-7-3-8-31-10-12-32(13-11-31)26-29-5-2-6-30-26)23-4-1-9-33(23)25(35)27-17-20-14-21(18-27)16-22(15-20)19-27/h2,5-6,20-23H,1,3-4,7-19H2,(H,28,34)