3-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]-N-methyl-benzamide

Systemtic Name: 3-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]-N-methyl-benzamide Openeye Name: 3-[[3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanoylamino]methyl]-N-methyl-benzamide CAS Name: 3-[[[3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-oxopropyl]amino]methyl]-N-methylbenzamide IUPAC Name: 3-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]-N-methylbenzamide Traditional Name: 3-[[3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanoylamino]methyl]-N-methyl-benzamide Formula: C21H30N4O2 MolecularWeight: 370.4885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)NCC2=CC=CC(=C2)C(=O)NC

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)NCC2=CC=CC(=C2)C(=O)NC

InChI

InChI=1S/C21H30N4O2/c1-14(2)13-25-16(4)19(15(3)24-25)9-10-20(26)23-12-17-7-6-8-18(11-17)21(27)22-5/h6-8,11,14H,9-10,12-13H2,1-5H3,(H,22,27)(H,23,26)