N-[(E)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[(E)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide Openeye Name: N-[(E)-(5-bromo-2-methoxy-phenyl)methyleneamino]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide CAS Name: N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-[(3,5-dimethyl-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide Traditional Name: N-[(E)-(5-bromo-2-methoxy-benzylidene)amino]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN4O2/c1-14-9-15(2)26(25-14)13-16-5-4-6-17(10-16)21(27)24-23-12-18-11-19(22)7-8-20(18)28-3/h4-12H,13H2,1-3H3,(H,24,27)/b23-12+