N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-3-methyl-but-2-enamide

Systemtic Name: N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-3-methyl-but-2-enamide Openeye Name: N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-3-methyl-but-2-enamide CAS Name: N-[[4-[[[[(4-fluorophenyl)methylamino]-oxomethyl]amino]methyl]cyclohexyl]methyl]-3-methyl-2-butenamide IUPAC Name: N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-3-methylbut-2-enamide Traditional Name: N-[[4-[[(4-fluorobenzyl)carbamoylamino]methyl]cyclohexyl]methyl]-3-methyl-but-2-enamide Formula: C21H30FN3O2 MolecularWeight: 375.480203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NCC1CCC(CC1)CNC(=O)NCC2=CC=C(C=C2)F)C

Isomeric SMILES

CC(=CC(=O)NCC1CCC(CC1)CNC(=O)NCC2=CC=C(C=C2)F)C

InChI

InChI=1S/C21H30FN3O2/c1-15(2)11-20(26)23-12-16-3-5-17(6-4-16)13-24-21(27)25-14-18-7-9-19(22)10-8-18/h7-11,16-17H,3-6,12-14H2,1-2H3,(H,23,26)(H2,24,25,27)