4-bromanyl-N-[(E)-(3-ethoxy-4-phenylmethoxy-phenyl)methylideneamino]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[(E)-(3-ethoxy-4-phenylmethoxy-phenyl)methylideneamino]-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[(E)-(4-benzyloxy-3-ethoxy-phenyl)methyleneamino]-4-bromo-1-methyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide Traditional Name: N-[(E)-(4-benzoxy-3-ethoxy-benzylidene)amino]-4-bromo-1-methyl-pyrazole-3-carboxamide Formula: C21H21BrN4O3 MolecularWeight: 457.32044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)C2=NN(C=C2Br)C)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=NN(C=C2Br)C)OCC3=CC=CC=C3

InChI

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