3-bromanyl-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide

Systemtic Name: 3-bromanyl-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide Openeye Name: 3-bromo-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methyleneamino]benzamide CAS Name: 3-bromo-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)-4-pyrazolyl]methylideneamino]benzamide IUPAC Name: 3-bromo-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide Traditional Name: 3-bromo-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methyleneamino]benzamide Formula: C26H23BrN4O2 MolecularWeight: 503.39042

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C3=CC(=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C26H23BrN4O2/c1-2-15-33-24-13-11-19(12-14-24)25-21(18-31(30-25)23-9-4-3-5-10-23)17-28-29-26(32)20-7-6-8-22(27)16-20/h3-14,16-18H,2,15H2,1H3,(H,29,32)/b28-17+