(3S)-N-(1-adamantyl)-N-ethyl-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1-adamantyl)-N-ethyl-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1-adamantyl)-N-ethyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide CAS Name: (3S)-N-(1-adamantyl)-N-ethyl-1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1-adamantyl)-N-ethyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide Traditional Name: (3S)-N-(1-adamantyl)-N-ethyl-1-(4-fluorobenzoyl)nipecotamide Formula: C25H33FN2O2 MolecularWeight: 412.540123

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)F)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN(C(=O)[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)F)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33FN2O2/c1-2-28(25-13-17-10-18(14-25)12-19(11-17)15-25)24(30)21-4-3-9-27(16-21)23(29)20-5-7-22(26)8-6-20/h5-8,17-19,21H,2-4,9-16H2,1H3/t17?,18?,19?,21-,25?/m0/s1