3-cyano-N-[(2S)-3-cyclohexyl-1-[2-[(4-fluorophenyl)amino]ethylamino]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: 3-cyano-N-[(2S)-3-cyclohexyl-1-[2-[(4-fluorophenyl)amino]ethylamino]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: 3-cyano-N-[(1S)-1-(cyclohexylmethyl)-2-[2-(4-fluoroanilino)ethylamino]-2-oxo-ethyl]benzamide CAS Name: 3-cyano-N-[(2S)-3-cyclohexyl-1-[2-(4-fluoroanilino)ethylamino]-1-oxopropan-2-yl]benzamide IUPAC Name: 3-cyano-N-[(2S)-3-cyclohexyl-1-[2-(4-fluoroanilino)ethylamino]-1-oxopropan-2-yl]benzamide Traditional Name: 3-cyano-N-[(1S)-1-(cyclohexylmethyl)-2-[2-(4-fluoroanilino)ethylamino]-2-keto-ethyl]benzamide Formula: C25H29FN4O2 MolecularWeight: 436.521763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NCCNC2=CC=C(C=C2)F)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)NCCNC2=CC=C(C=C2)F)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C25H29FN4O2/c26-21-9-11-22(12-10-21)28-13-14-29-25(32)23(16-18-5-2-1-3-6-18)30-24(31)20-8-4-7-19(15-20)17-27/h4,7-12,15,18,23,28H,1-3,5-6,13-14,16H2,(H,29,32)(H,30,31)/t23-/m0/s1