N-[(E)-(3-bromanyl-4-methoxy-5-oxidanyl-phenyl)methylideneamino]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[(E)-(3-bromanyl-4-methoxy-5-oxidanyl-phenyl)methylideneamino]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide Openeye Name: N-[(E)-(3-bromo-5-hydroxy-4-methoxy-phenyl)methyleneamino]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide CAS Name: N-[(E)-(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-3-[(3,5-dimethyl-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[(E)-(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide Traditional Name: N-[(E)-(3-bromo-5-hydroxy-4-methoxy-benzylidene)amino]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide Formula: C21H21BrN4O3 MolecularWeight: 457.32044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=CC(=C2)C(=O)NN=CC3=CC(=C(C(=C3)Br)OC)O)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC=CC(=C2)C(=O)N/N=C/C3=CC(=C(C(=C3)Br)OC)O)C

InChI

InChI=1S/C21H21BrN4O3/c1-13-7-14(2)26(25-13)12-15-5-4-6-17(8-15)21(28)24-23-11-16-9-18(22)20(29-3)19(27)10-16/h4-11,27H,12H2,1-3H3,(H,24,28)/b23-11+