5-[(E)-1-(1,3-diphenylpyrazol-4-yl)-4-oxidanylidene-4-phenyl-but-1-en-2-yl]-1,2-dihydro-1,2,4-triazol-3-one

Systemtic Name: 5-[(E)-1-(1,3-diphenylpyrazol-4-yl)-4-oxidanylidene-4-phenyl-but-1-en-2-yl]-1,2-dihydro-1,2,4-triazol-3-one Openeye Name: 5-[(1E)-1-[(1,3-diphenylpyrazol-4-yl)methylene]-3-oxo-3-phenyl-propyl]-1,2-dihydro-1,2,4-triazol-3-one CAS Name: 5-[(E)-1-(1,3-diphenyl-4-pyrazolyl)-4-oxo-4-phenylbut-1-en-2-yl]-1,2-dihydro-1,2,4-triazol-3-one IUPAC Name: 5-[(E)-1-(1,3-diphenylpyrazol-4-yl)-4-oxo-4-phenylbut-1-en-2-yl]-1,2-dihydro-1,2,4-triazol-3-one Traditional Name: 5-[(E)-2-(1,3-diphenylpyrazol-4-yl)-1-phenacyl-vinyl]-1,2-dihydro-1,2,4-triazol-3-one Formula: C27H21N5O2 MolecularWeight: 447.48794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C(CC(=O)C3=CC=CC=C3)C4=NC(=O)NN4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C(\CC(=O)C3=CC=CC=C3)/C4=NC(=O)NN4)C5=CC=CC=C5

InChI

InChI=1S/C27H21N5O2/c33-24(19-10-4-1-5-11-19)17-21(26-28-27(34)30-29-26)16-22-18-32(23-14-8-3-9-15-23)31-25(22)20-12-6-2-7-13-20/h1-16,18H,17H2,(H2,28,29,30,34)/b21-16+