2-[[3-[3-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]indol-1-yl]-2-oxidanyl-propyl]amino]benzamide

Systemtic Name: 2-[[3-[3-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]indol-1-yl]-2-oxidanyl-propyl]amino]benzamide Openeye Name: 2-[[2-hydroxy-3-[3-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]indol-1-yl]propyl]amino]benzamide CAS Name: 2-[[2-hydroxy-3-[3-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-1-indolyl]propyl]amino]benzamide IUPAC Name: 2-[[2-hydroxy-3-[3-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]indol-1-yl]propyl]amino]benzamide Traditional Name: 2-[[2-hydroxy-3-[3-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]indol-1-yl]propyl]amino]benzamide Formula: C29H27N5O3 MolecularWeight: 493.55638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNC4=CC=CC=C4C(=O)N)O)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNC4=CC=CC=C4C(=O)N)O)C5=CC=CC=C5

InChI

InChI=1S/C29H27N5O3/c1-19-25(29(37)34(32-19)21-9-3-2-4-10-21)15-20-17-33(27-14-8-6-11-23(20)27)18-22(35)16-31-26-13-7-5-12-24(26)28(30)36/h2-15,17,22,31,35H,16,18H2,1H3,(H2,30,36)