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

Systemtic Name: 5-methyl-4-[[1-[3-(2-methylpropylamino)-2-oxidanyl-propyl]indol-3-yl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: 4-[[1-[2-hydroxy-3-(isobutylamino)propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3-indolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[1-[2-hydroxy-3-(2-methylpropylamino)propyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-[[1-[2-hydroxy-3-(isobutylamino)propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C26H30N4O2 MolecularWeight: 430.542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O2/c1-18(2)14-27-15-22(31)17-29-16-20(23-11-7-8-12-25(23)29)13-24-19(3)28-30(26(24)32)21-9-5-4-6-10-21/h4-13,16,18,22,27,31H,14-15,17H2,1-3H3