[1-(1-adamantylcarbonyl)pyrrolidin-2-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [1-(1-adamantylcarbonyl)pyrrolidin-2-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone Openeye Name: [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]methanone CAS Name: [1-[1-adamantyl(oxo)methyl]-2-pyrrolidinyl]-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]methanone IUPAC Name: [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone Traditional Name: [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(coumaran-5-ylmethyl)piperazino]methanone Formula: C29H39N3O3 MolecularWeight: 477.63826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)N5CCN(CC5)CC6=CC7=C(C=C6)OCC7

Isomeric SMILES

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)N5CCN(CC5)CC6=CC7=C(C=C6)OCC7

InChI

InChI=1S/C29H39N3O3/c33-27(31-9-7-30(8-10-31)19-20-3-4-26-24(15-20)5-11-35-26)25-2-1-6-32(25)28(34)29-16-21-12-22(17-29)14-23(13-21)18-29/h3-4,15,21-23,25H,1-2,5-14,16-19H2