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

Systemtic Name: 4-[[1-[3-(furan-2-ylmethylamino)-2-oxidanyl-propyl]indol-3-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[1-[3-(2-furylmethylamino)-2-hydroxy-propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[1-[3-(2-furanylmethylamino)-2-hydroxypropyl]-3-indolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[1-[3-(furan-2-ylmethylamino)-2-hydroxypropyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-[[1-[3-(2-furfurylamino)-2-hydroxy-propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNCC4=CC=CO4)O)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNCC4=CC=CO4)O)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c1-19-25(27(33)31(29-19)21-8-3-2-4-9-21)14-20-17-30(26-12-6-5-11-24(20)26)18-22(32)15-28-16-23-10-7-13-34-23/h2-14,17,22,28,32H,15-16,18H2,1H3