4-[[1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-indol-3-yl]methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-indol-3-yl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-indol-3-yl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-indolyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-2-methylindol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-[(2-methyl-1-piperonyl-indol-3-yl)methylene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC3=CC4=C(C=C3)OCO4)C=C5C(=O)NN(C5=O)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC3=CC4=C(C=C3)OCO4)C=C5C(=O)NN(C5=O)C6=CC=CC=C6

InChI

InChI=1S/C27H21N3O4/c1-17-21(14-22-26(31)28-30(27(22)32)19-7-3-2-4-8-19)20-9-5-6-10-23(20)29(17)15-18-11-12-24-25(13-18)34-16-33-24/h2-14H,15-16H2,1H3,(H,28,31)