4-bromanyl-1-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-1-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]pyrazole-3-carboxamide Openeye Name: 4-bromo-1-methyl-N-[(E)-(4-pentoxyphenyl)methyleneamino]pyrazole-3-carboxamide CAS Name: 4-bromo-1-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-1-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]pyrazole-3-carboxamide Traditional Name: N-[(E)-(4-amoxybenzylidene)amino]-4-bromo-1-methyl-pyrazole-3-carboxamide Formula: C17H21BrN4O2 MolecularWeight: 393.27824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=NNC(=O)C2=NN(C=C2Br)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=N/NC(=O)C2=NN(C=C2Br)C

InChI

InChI=1S/C17H21BrN4O2/c1-3-4-5-10-24-14-8-6-13(7-9-14)11-19-20-17(23)16-15(18)12-22(2)21-16/h6-9,11-12H,3-5,10H2,1-2H3,(H,20,23)/b19-11+