3-[(E)-2-(3-phenoxyphenyl)ethenyl]-1-phenyl-cyclohepta[c]pyrazol-8-one

Systemtic Name: 3-[(E)-2-(3-phenoxyphenyl)ethenyl]-1-phenyl-cyclohepta[c]pyrazol-8-one Openeye Name: 3-[(E)-2-(3-phenoxyphenyl)vinyl]-1-phenyl-cyclohepta[c]pyrazol-8-one CAS Name: 3-[(E)-2-(3-phenoxyphenyl)ethenyl]-1-phenyl-8-cyclohepta[c]pyrazolone IUPAC Name: 3-[(E)-2-(3-phenoxyphenyl)ethenyl]-1-phenylcyclohepta[c]pyrazol-8-one Traditional Name: 3-[(E)-2-(3-phenoxyphenyl)vinyl]-1-phenyl-cyclohepta[c]pyrazol-8-one Formula: C28H20N2O2 MolecularWeight: 416.4706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=CC=CC3=O)C(=N2)C=CC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=CC=CC3=O)C(=N2)/C=C/C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H20N2O2/c31-27-17-8-7-16-25-26(29-30(28(25)27)22-11-3-1-4-12-22)19-18-21-10-9-15-24(20-21)32-23-13-5-2-6-14-23/h1-20H/b19-18+