4-[[1-[3-[2-(1H-imidazol-5-yl)ethylamino]-2-oxidanyl-propyl]indol-3-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[1-[3-[2-(1H-imidazol-5-yl)ethylamino]-2-oxidanyl-propyl]indol-3-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[1-[2-hydroxy-3-[2-(1H-imidazol-5-yl)ethylamino]propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[1-[2-hydroxy-3-[2-(1H-imidazol-5-yl)ethylamino]propyl]-3-indolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[1-[2-hydroxy-3-[2-(1H-imidazol-5-yl)ethylamino]propyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-[[1-[2-hydroxy-3-[2-(1H-imidazol-5-yl)ethylamino]propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C27H28N6O2 MolecularWeight: 468.55022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNCCC4=CN=CN4)O)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNCCC4=CN=CN4)O)C5=CC=CC=C5

InChI

InChI=1S/C27H28N6O2/c1-19-25(27(35)33(31-19)22-7-3-2-4-8-22)13-20-16-32(26-10-6-5-9-24(20)26)17-23(34)15-28-12-11-21-14-29-18-30-21/h2-10,13-14,16,18,23,28,34H,11-12,15,17H2,1H3,(H,29,30)