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

Systemtic Name: N-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-3-methyl-but-2-enamide Openeye Name: N-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-3-methyl-but-2-enamide CAS Name: N-[[4-[[[[(2-chlorophenyl)methylamino]-oxomethyl]amino]methyl]cyclohexyl]methyl]-3-methyl-2-butenamide IUPAC Name: N-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-3-methylbut-2-enamide Traditional Name: N-[[4-[[(2-chlorobenzyl)carbamoylamino]methyl]cyclohexyl]methyl]-3-methyl-but-2-enamide Formula: C21H30ClN3O2 MolecularWeight: 391.9348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NCC1CCC(CC1)CNC(=O)NCC2=CC=CC=C2Cl)C

Isomeric SMILES

CC(=CC(=O)NCC1CCC(CC1)CNC(=O)NCC2=CC=CC=C2Cl)C

InChI

InChI=1S/C21H30ClN3O2/c1-15(2)11-20(26)23-12-16-7-9-17(10-8-16)13-24-21(27)25-14-18-5-3-4-6-19(18)22/h3-6,11,16-17H,7-10,12-14H2,1-2H3,(H,23,26)(H2,24,25,27)