4-bromanyl-3,5-dimethoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

Systemtic Name: 4-bromanyl-3,5-dimethoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide Openeye Name: 4-bromo-3,5-dimethoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide CAS Name: 4-bromo-3,5-dimethoxy-N-[2-(1-phenyl-4-pyrazolyl)ethyl]benzamide IUPAC Name: 4-bromo-3,5-dimethoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide Traditional Name: 4-bromo-3,5-dimethoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide Formula: C20H20BrN3O3 MolecularWeight: 430.2951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)NCCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)NCCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H20BrN3O3/c1-26-17-10-15(11-18(27-2)19(17)21)20(25)22-9-8-14-12-23-24(13-14)16-6-4-3-5-7-16/h3-7,10-13H,8-9H2,1-2H3,(H,22,25)