3-bromanyl-4-ethoxy-5-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-5-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide Openeye Name: 3-bromo-4-ethoxy-5-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide CAS Name: 3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-5-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide Traditional Name: 3-bromo-4-ethoxy-5-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)NCCC2=CC=C(C=C2)N3C=CC=N3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)NCCC2=CC=C(C=C2)N3C=CC=N3)OC

InChI

InChI=1S/C21H22BrN3O3/c1-3-28-20-18(22)13-16(14-19(20)27-2)21(26)23-11-9-15-5-7-17(8-6-15)25-12-4-10-24-25/h4-8,10,12-14H,3,9,11H2,1-2H3,(H,23,26)