2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]ethanamide

Systemtic Name: 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]ethanamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetamide CAS Name: 2-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]acetamide IUPAC Name: 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetamide Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CC(=O)NC2=CC=C(C=C2)NC(=O)NCC=C

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CC(=O)NC2=CC=C(C=C2)NC(=O)NCC=C

InChI

InChI=1S/C21H29N5O2/c1-6-11-22-21(28)24-18-9-7-17(8-10-18)23-20(27)12-19-15(4)25-26(16(19)5)13-14(2)3/h6-10,14H,1,11-13H2,2-5H3,(H,23,27)(H2,22,24,28)