N-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[3-(4-bromo-3-methyl-1-pyrazolyl)propyl]-1-[(2,4-dimethylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Formula: C20H24BrN5O2 MolecularWeight: 446.34086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCN2C=CC(=N2)C(=O)NCCCN3C=C(C(=N3)C)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCN2C=CC(=N2)C(=O)NCCCN3C=C(C(=N3)C)Br)C

InChI

InChI=1S/C20H24BrN5O2/c1-14-5-6-19(15(2)11-14)28-13-26-10-7-18(24-26)20(27)22-8-4-9-25-12-17(21)16(3)23-25/h5-7,10-12H,4,8-9,13H2,1-3H3,(H,22,27)