4-(cyclohexylcarbamoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: 4-(cyclohexylcarbamoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-(cyclohexylcarbamoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 4-[[(cyclohexylamino)-oxomethyl]amino]-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-(cyclohexylcarbamoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-(cyclohexylcarbamoylamino)-N-[2-(pyrazol-1-ylmethyl)benzyl]butyramide Formula: C22H31N5O2 MolecularWeight: 397.51384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCCCC(=O)NCC2=CC=CC=C2CN3C=CC=N3

Isomeric SMILES

C1CCC(CC1)NC(=O)NCCCC(=O)NCC2=CC=CC=C2CN3C=CC=N3

InChI

InChI=1S/C22H31N5O2/c28-21(12-6-13-23-22(29)26-20-10-2-1-3-11-20)24-16-18-8-4-5-9-19(18)17-27-15-7-14-25-27/h4-5,7-9,14-15,20H,1-3,6,10-13,16-17H2,(H,24,28)(H2,23,26,29)