(4E)-5-methyl-2-phenyl-4-[[1-(piperidin-1-ylmethyl)indol-3-yl]methylidene]pyrazol-3-one

Systemtic Name: (4E)-5-methyl-2-phenyl-4-[[1-(piperidin-1-ylmethyl)indol-3-yl]methylidene]pyrazol-3-one Openeye Name: (4E)-5-methyl-2-phenyl-4-[[1-(1-piperidylmethyl)indol-3-yl]methylene]pyrazol-3-one CAS Name: (4E)-5-methyl-2-phenyl-4-[[1-(1-piperidinylmethyl)-3-indolyl]methylidene]-3-pyrazolone IUPAC Name: (4E)-5-methyl-2-phenyl-4-[[1-(piperidin-1-ylmethyl)indol-3-yl]methylidene]pyrazol-3-one Traditional Name: (4E)-5-methyl-2-phenyl-4-[[1-(piperidinomethyl)indol-3-yl]methylene]-2-pyrazolin-3-one Formula: C25H26N4O MolecularWeight: 398.50014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CN4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CN(C3=CC=CC=C32)CN4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4O/c1-19-23(25(30)29(26-19)21-10-4-2-5-11-21)16-20-17-28(18-27-14-8-3-9-15-27)24-13-7-6-12-22(20)24/h2,4-7,10-13,16-17H,3,8-9,14-15,18H2,1H3/b23-16+