[1-(1-adamantylcarbonyl)pyrrolidin-2-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [1-(1-adamantylcarbonyl)pyrrolidin-2-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-(4-benzylpiperazin-1-yl)methanone CAS Name: [1-[1-adamantyl(oxo)methyl]-2-pyrrolidinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-(4-benzylpiperazin-1-yl)methanone Traditional Name: [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-(4-benzylpiperazino)methanone Formula: C27H37N3O2 MolecularWeight: 435.60158

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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=CC=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O2/c31-25(29-11-9-28(10-12-29)19-20-5-2-1-3-6-20)24-7-4-8-30(24)26(32)27-16-21-13-22(17-27)15-23(14-21)18-27/h1-3,5-6,21-24H,4,7-19H2