N-[(E)-(5-bromanyl-2,4-dimethoxy-phenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide

Systemtic Name: N-[(E)-(5-bromanyl-2,4-dimethoxy-phenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide Openeye Name: N-[(E)-(5-bromo-2,4-dimethoxy-phenyl)methyleneamino]-3-(pyrazol-1-ylmethyl)benzamide CAS Name: N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-3-(1-pyrazolylmethyl)benzamide IUPAC Name: N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide Traditional Name: N-[(E)-(5-bromo-2,4-dimethoxy-benzylidene)amino]-3-(pyrazol-1-ylmethyl)benzamide Formula: C20H19BrN4O3 MolecularWeight: 443.29386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=NNC(=O)C2=CC(=CC=C2)CN3C=CC=N3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=N/NC(=O)C2=CC(=CC=C2)CN3C=CC=N3)Br)OC

InChI

InChI=1S/C20H19BrN4O3/c1-27-18-11-19(28-2)17(21)10-16(18)12-22-24-20(26)15-6-3-5-14(9-15)13-25-8-4-7-23-25/h3-12H,13H2,1-2H3,(H,24,26)/b22-12+