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

Systemtic Name: 4-[[1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propyl]indol-3-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-indolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-[[1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C31H30N4O2 MolecularWeight: 490.5955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CN4CCC5=CC=CC=C5C4)O)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CN4CCC5=CC=CC=C5C4)O)C6=CC=CC=C6

InChI

InChI=1S/C31H30N4O2/c1-22-29(31(37)35(32-22)26-11-3-2-4-12-26)17-25-19-34(30-14-8-7-13-28(25)30)21-27(36)20-33-16-15-23-9-5-6-10-24(23)18-33/h2-14,17,19,27,36H,15-16,18,20-21H2,1H3