N-(1-adamantyl)-4-[2-[3,3-dimethylbutanoyl-[(4-fluorophenyl)methyl]amino]ethyl]piperazine-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[2-[3,3-dimethylbutanoyl-[(4-fluorophenyl)methyl]amino]ethyl]piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[2-[3,3-dimethylbutanoyl-[(4-fluorophenyl)methyl]amino]ethyl]piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[2-[(3,3-dimethyl-1-oxobutyl)-[(4-fluorophenyl)methyl]amino]ethyl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-[2-[3,3-dimethylbutanoyl-[(4-fluorophenyl)methyl]amino]ethyl]piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[2-[3,3-dimethylbutanoyl-(4-fluorobenzyl)amino]ethyl]piperazine-1-carboxamide Formula: C30H45FN4O2 MolecularWeight: 512.702303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CCN1CCN(CC1)C(=O)NC23CC4CC(C2)CC(C4)C3)CC5=CC=C(C=C5)F

Isomeric SMILES

CC(C)(C)CC(=O)N(CCN1CCN(CC1)C(=O)NC23CC4CC(C2)CC(C4)C3)CC5=CC=C(C=C5)F

InChI

InChI=1S/C30H45FN4O2/c1-29(2,3)20-27(36)35(21-22-4-6-26(31)7-5-22)13-10-33-8-11-34(12-9-33)28(37)32-30-17-23-14-24(18-30)16-25(15-23)19-30/h4-7,23-25H,8-21H2,1-3H3,(H,32,37)