4a-methyl-1-[3-(2-phenylethynyl)phenyl]-4,6,7,8-tetrahydrobenzo[f]indazol-5-one

Systemtic Name: 4a-methyl-1-[3-(2-phenylethynyl)phenyl]-4,6,7,8-tetrahydrobenzo[f]indazol-5-one Openeye Name: 4a-methyl-1-[3-(2-phenylethynyl)phenyl]-4,6,7,8-tetrahydrobenzo[f]indazol-5-one CAS Name: 4a-methyl-1-[3-(2-phenylethynyl)phenyl]-4,6,7,8-tetrahydrobenzo[f]indazol-5-one IUPAC Name: 4a-methyl-1-[3-(2-phenylethynyl)phenyl]-4,6,7,8-tetrahydrobenzo[f]indazol-5-one Traditional Name: 4a-methyl-1-[3-(2-phenylethynyl)phenyl]-4,6,7,8-tetrahydrobenz[f]indazol-5-one Formula: C26H22N2O MolecularWeight: 378.46568

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3=C(C=C1CCCC2=O)N(N=C3)C4=CC=CC(=C4)C#CC5=CC=CC=C5

Isomeric SMILES

CC12CC3=C(C=C1CCCC2=O)N(N=C3)C4=CC=CC(=C4)C#CC5=CC=CC=C5

InChI

InChI=1S/C26H22N2O/c1-26-17-21-18-27-28(24(21)16-22(26)10-6-12-25(26)29)23-11-5-9-20(15-23)14-13-19-7-3-2-4-8-19/h2-5,7-9,11,15-16,18H,6,10,12,17H2,1H3