(4E)-5-methyl-4-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-5-methyl-4-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-5-methyl-4-[[1-(2-phenoxyethyl)indol-3-yl]methylene]-2-phenyl-pyrazol-3-one CAS Name: (4E)-5-methyl-4-[[1-(2-phenoxyethyl)-3-indolyl]methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4E)-5-methyl-4-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-2-phenylpyrazol-3-one Traditional Name: (4E)-5-methyl-4-[[1-(2-phenoxyethyl)indol-3-yl]methylene]-2-phenyl-2-pyrazolin-3-one Formula: C27H23N3O2 MolecularWeight: 421.49042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CCOC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CN(C3=CC=CC=C32)CCOC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O2/c1-20-25(27(31)30(28-20)22-10-4-2-5-11-22)18-21-19-29(26-15-9-8-14-24(21)26)16-17-32-23-12-6-3-7-13-23/h2-15,18-19H,16-17H2,1H3/b25-18+