(2E)-2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one

Systemtic Name: (2E)-2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one Openeye Name: (2E)-2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylene]-6-methoxy-tetralin-1-one CAS Name: (2E)-2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one IUPAC Name: (2E)-2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one Traditional Name: (2E)-2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylene]-6-methoxy-tetralin-1-one Formula: C21H17BrN2O2 MolecularWeight: 409.27588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)C(=CC3=C(NN=C3)C4=CC=C(C=C4)Br)CC2

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)/C(=C/C3=C(NN=C3)C4=CC=C(C=C4)Br)/CC2

InChI

InChI=1S/C21H17BrN2O2/c1-26-18-8-9-19-14(11-18)2-3-15(21(19)25)10-16-12-23-24-20(16)13-4-6-17(22)7-5-13/h4-12H,2-3H2,1H3,(H,23,24)/b15-10+