N-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]-1-(phenoxymethyl)pyrazole-3-carboxamide

Systemtic Name: N-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]-1-(phenoxymethyl)pyrazole-3-carboxamide Openeye Name: N-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-1-(phenoxymethyl)pyrazole-3-carboxamide CAS Name: N-[3-(4-bromo-3-methyl-1-pyrazolyl)propyl]-1-(phenoxymethyl)-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-(phenoxymethyl)pyrazole-3-carboxamide Traditional Name: N-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-1-(phenoxymethyl)pyrazole-3-carboxamide Formula: C18H20BrN5O2 MolecularWeight: 418.2877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)CCCNC(=O)C2=NN(C=C2)COC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C=C1Br)CCCNC(=O)C2=NN(C=C2)COC3=CC=CC=C3

InChI

InChI=1S/C18H20BrN5O2/c1-14-16(19)12-23(21-14)10-5-9-20-18(25)17-8-11-24(22-17)13-26-15-6-3-2-4-7-15/h2-4,6-8,11-12H,5,9-10,13H2,1H3,(H,20,25)