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

Systemtic Name: (4E)-5-methyl-4-[[1-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propyl]indol-3-yl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[1-[2-hydroxy-3-(4-methyl-1-piperazinyl)propyl]-3-indolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[[1-[2-hydroxy-3-(4-methylpiperazino)propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CN4CCN(CC4)C)O)C5=CC=CC=C5

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CN(C3=CC=CC=C32)CC(CN4CCN(CC4)C)O)C5=CC=CC=C5

InChI

InChI=1S/C27H31N5O2/c1-20-25(27(34)32(28-20)22-8-4-3-5-9-22)16-21-17-31(26-11-7-6-10-24(21)26)19-23(33)18-30-14-12-29(2)13-15-30/h3-11,16-17,23,33H,12-15,18-19H2,1-2H3/b25-16+