5-methyl-4-[[1-[2-oxidanyl-3-(pyridin-4-ylamino)propyl]indol-3-yl]methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: 5-methyl-4-[[1-[2-oxidanyl-3-(pyridin-4-ylamino)propyl]indol-3-yl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: 4-[[1-[2-hydroxy-3-(4-pyridylamino)propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[1-[2-hydroxy-3-(pyridin-4-ylamino)propyl]-3-indolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[1-[2-hydroxy-3-(pyridin-4-ylamino)propyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-[[1-[2-hydroxy-3-(4-pyridylamino)propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C27H25N5O2 MolecularWeight: 451.5197

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNC4=CC=NC=C4)O)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNC4=CC=NC=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C27H25N5O2/c1-19-25(27(34)32(30-19)22-7-3-2-4-8-22)15-20-17-31(26-10-6-5-9-24(20)26)18-23(33)16-29-21-11-13-28-14-12-21/h2-15,17,23,33H,16,18H2,1H3,(H,28,29)