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

Systemtic Name: 4-[[1-[3-[(4-hydroxyphenyl)-methyl-amino]-2-oxidanyl-propyl]indol-3-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[1-[2-hydroxy-3-(4-hydroxy-N-methyl-anilino)propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[1-[2-hydroxy-3-(4-hydroxy-N-methylanilino)propyl]-3-indolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[1-[2-hydroxy-3-(4-hydroxy-N-methylanilino)propyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-[[1-[2-hydroxy-3-(4-hydroxy-N-methyl-anilino)propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N4O3/c1-20-27(29(36)33(30-20)23-8-4-3-5-9-23)16-21-17-32(28-11-7-6-10-26(21)28)19-25(35)18-31(2)22-12-14-24(34)15-13-22/h3-17,25,34-35H,18-19H2,1-2H3