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

Systemtic Name: (4E)-4-[[1-[(dibutylamino)methyl]indol-3-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[1-[(dibutylamino)methyl]indol-3-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[1-[(dibutylamino)methyl]-3-indolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[1-[(dibutylamino)methyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[[1-[(dibutylamino)methyl]indol-3-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C28H34N4O MolecularWeight: 442.59576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CN1C=C(C2=CC=CC=C21)C=C3C(=NN(C3=O)C4=CC=CC=C4)C

Isomeric SMILES

CCCCN(CCCC)CN1C=C(C2=CC=CC=C21)/C=C/3\C(=NN(C3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C28H34N4O/c1-4-6-17-30(18-7-5-2)21-31-20-23(25-15-11-12-16-27(25)31)19-26-22(3)29-32(28(26)33)24-13-9-8-10-14-24/h8-16,19-20H,4-7,17-18,21H2,1-3H3/b26-19+