1-(1H-indol-3-yl)ethanone; 2-[(5E)-5-indol-3-ylidene-1,2-dihydropyrazol-3-yl]cyclohexene-1-carboxylic acid

Systemtic Name: 1-(1H-indol-3-yl)ethanone; 2-[(5E)-5-indol-3-ylidene-1,2-dihydropyrazol-3-yl]cyclohexene-1-carboxylic acid Openeye Name: 1-(1H-indol-3-yl)ethanone; 2-[(5E)-5-indol-3-ylidene-1,2-dihydropyrazol-3-yl]cyclohexene-1-carboxylic acid CAS Name: 1-(1H-indol-3-yl)ethanone; 2-[(5E)-5-(3-indolylidene)-1,2-dihydropyrazol-3-yl]-1-cyclohexenecarboxylic acid IUPAC Name: 1-(1H-indol-3-yl)ethanone; 2-[(5E)-5-indol-3-ylidene-1,2-dihydropyrazol-3-yl]cyclohexene-1-carboxylic acid Traditional Name: 1-(1H-indol-3-yl)ethanone; 2-[(5E)-5-indol-3-ylidene-3-pyrazolin-3-yl]cyclohexene-1-carboxylic acid Formula: C28H26N4O3 MolecularWeight: 466.53104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC2=CC=CC=C21.C1CCC(=C(C1)C2=CC(=C3C=NC4=CC=CC=C43)NN2)C(=O)O

Isomeric SMILES

CC(=O)C1=CNC2=CC=CC=C21.C1CCC(=C(C1)C2=C/C(=C/3\C=NC4=CC=CC=C43)/NN2)C(=O)O

InChI

InChI=1S/C18H17N3O2.C10H9NO/c22-18(23)13-7-2-1-5-11(13)16-9-17(21-20-16)14-10-19-15-8-4-3-6-12(14)15;1-7(12)9-6-11-10-5-3-2-4-8(9)10/h3-4,6,8-10,20-21H,1-2,5,7H2,(H,22,23);2-6,11H,1H3/b17-14-;