5-(1,3-dihydroisoindol-2-ylcarbonyl)-3-(3-methylbutyl)-1,2-dihydroindazol-6-one

Systemtic Name: 5-(1,3-dihydroisoindol-2-ylcarbonyl)-3-(3-methylbutyl)-1,2-dihydroindazol-6-one Openeye Name: 5-(isoindoline-2-carbonyl)-3-isopentyl-1,2-dihydroindazol-6-one CAS Name: 5-[1,3-dihydroisoindol-2-yl(oxo)methyl]-3-(3-methylbutyl)-1,2-dihydroindazol-6-one IUPAC Name: 5-(1,3-dihydroisoindole-2-carbonyl)-3-(3-methylbutyl)-1,2-dihydroindazol-6-one Traditional Name: 3-isoamyl-5-(isoindoline-2-carbonyl)-1,2-dihydroindazol-6-one Formula: C21H23N3O2 MolecularWeight: 349.42622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C2C=C(C(=O)C=C2NN1)C(=O)N3CC4=CC=CC=C4C3

Isomeric SMILES

CC(C)CCC1=C2C=C(C(=O)C=C2NN1)C(=O)N3CC4=CC=CC=C4C3

InChI

InChI=1S/C21H23N3O2/c1-13(2)7-8-18-16-9-17(20(25)10-19(16)23-22-18)21(26)24-11-14-5-3-4-6-15(14)12-24/h3-6,9-10,13,22-23H,7-8,11-12H2,1-2H3