N-[3-[3-(cyclohexylcarbamoylamino)propanoylamino]phenyl]-2-pyrazol-1-yl-propanamide

Systemtic Name: N-[3-[3-(cyclohexylcarbamoylamino)propanoylamino]phenyl]-2-pyrazol-1-yl-propanamide Openeye Name: N-[3-[3-(cyclohexylcarbamoylamino)propanoylamino]phenyl]-2-pyrazol-1-yl-propanamide CAS Name: N-[3-[[3-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropyl]amino]phenyl]-2-(1-pyrazolyl)propanamide IUPAC Name: N-[3-[3-(cyclohexylcarbamoylamino)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide Traditional Name: N-[3-[3-(cyclohexylcarbamoylamino)propanoylamino]phenyl]-2-pyrazol-1-yl-propionamide Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)CCNC(=O)NC2CCCCC2)N3C=CC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)NC(=O)CCNC(=O)NC2CCCCC2)N3C=CC=N3

InChI

InChI=1S/C22H30N6O3/c1-16(28-14-6-12-24-28)21(30)26-19-10-5-9-18(15-19)25-20(29)11-13-23-22(31)27-17-7-3-2-4-8-17/h5-6,9-10,12,14-17H,2-4,7-8,11,13H2,1H3,(H,25,29)(H,26,30)(H2,23,27,31)