1-(4-bromophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]cyclohepta[c]pyrazol-8-one

Systemtic Name: 1-(4-bromophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]cyclohepta[c]pyrazol-8-one Openeye Name: 1-(4-bromophenyl)-3-[(E)-2-(3-methoxyphenyl)vinyl]cyclohepta[c]pyrazol-8-one CAS Name: 1-(4-bromophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]-8-cyclohepta[c]pyrazolone IUPAC Name: 1-(4-bromophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]cyclohepta[c]pyrazol-8-one Traditional Name: 1-(4-bromophenyl)-3-[(E)-2-(3-methoxyphenyl)vinyl]cyclohepta[c]pyrazol-8-one Formula: C23H17BrN2O2 MolecularWeight: 433.29728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=CC2=NN(C3=C2C=CC=CC3=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC(=C1)/C=C/C2=NN(C3=C2C=CC=CC3=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H17BrN2O2/c1-28-19-6-4-5-16(15-19)9-14-21-20-7-2-3-8-22(27)23(20)26(25-21)18-12-10-17(24)11-13-18/h2-15H,1H3/b14-9+