4-[2-(4-bromanyl-3-methyl-pyrazol-1-yl)propanoylamino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: 4-[2-(4-bromanyl-3-methyl-pyrazol-1-yl)propanoylamino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide Openeye Name: 4-[2-(4-bromo-3-methyl-pyrazol-1-yl)propanoylamino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide CAS Name: 4-[[2-(4-bromo-3-methyl-1-pyrazolyl)-1-oxopropyl]amino]-2-methyl-N-[(1-methyl-4-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: 4-[2-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide Traditional Name: 4-[2-(4-bromo-3-methyl-pyrazol-1-yl)propanoylamino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide Formula: C17H21BrN8O2 MolecularWeight: 449.30504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)C(C)C(=O)NC2=C(N(N=C2)C)C(=O)NCC3=CN(N=C3)C

Isomeric SMILES

CC1=NN(C=C1Br)C(C)C(=O)NC2=C(N(N=C2)C)C(=O)NCC3=CN(N=C3)C

InChI

InChI=1S/C17H21BrN8O2/c1-10-13(18)9-26(23-10)11(2)16(27)22-14-7-21-25(4)15(14)17(28)19-5-12-6-20-24(3)8-12/h6-9,11H,5H2,1-4H3,(H,19,28)(H,22,27)