N-[(2S)-3-cyclohexyl-1-[2-[(4-fluorophenyl)amino]ethylamino]-1-oxidanylidene-propan-2-yl]-1-ethanoyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-3-cyclohexyl-1-[2-[(4-fluorophenyl)amino]ethylamino]-1-oxidanylidene-propan-2-yl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[(1S)-1-(cyclohexylmethyl)-2-[2-(4-fluoroanilino)ethylamino]-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[(2S)-3-cyclohexyl-1-[2-(4-fluoroanilino)ethylamino]-1-oxopropan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[(2S)-3-cyclohexyl-1-[2-(4-fluoroanilino)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[(1S)-1-(cyclohexylmethyl)-2-[2-(4-fluoroanilino)ethylamino]-2-keto-ethyl]isonipecotamide Formula: C25H37FN4O3 MolecularWeight: 460.584683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)NC(CC2CCCCC2)C(=O)NCCNC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCNC3=CC=C(C=C3)F

InChI

InChI=1S/C25H37FN4O3/c1-18(31)30-15-11-20(12-16-30)24(32)29-23(17-19-5-3-2-4-6-19)25(33)28-14-13-27-22-9-7-21(26)8-10-22/h7-10,19-20,23,27H,2-6,11-17H2,1H3,(H,28,33)(H,29,32)/t23-/m0/s1