3-(3-methylbutyl)-5-[[5-(2-piperidin-1-ylethoxy)-1,3-dihydroisoindol-2-yl]carbonyl]-1,2-dihydroindazol-6-one

Systemtic Name: 3-(3-methylbutyl)-5-[[5-(2-piperidin-1-ylethoxy)-1,3-dihydroisoindol-2-yl]carbonyl]-1,2-dihydroindazol-6-one Openeye Name: 3-isopentyl-5-[5-[2-(1-piperidyl)ethoxy]isoindoline-2-carbonyl]-1,2-dihydroindazol-6-one CAS Name: 3-(3-methylbutyl)-5-[oxo-[5-[2-(1-piperidinyl)ethoxy]-1,3-dihydroisoindol-2-yl]methyl]-1,2-dihydroindazol-6-one IUPAC Name: 3-(3-methylbutyl)-5-[5-(2-piperidin-1-ylethoxy)-1,3-dihydroisoindole-2-carbonyl]-1,2-dihydroindazol-6-one Traditional Name: 3-isoamyl-5-[5-(2-piperidinoethoxy)isoindoline-2-carbonyl]-1,2-dihydroindazol-6-one Formula: C28H36N4O3 MolecularWeight: 476.61044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C2C=C(C(=O)C=C2NN1)C(=O)N3CC4=C(C3)C=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CC(C)CCC1=C2C=C(C(=O)C=C2NN1)C(=O)N3CC4=C(C3)C=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C28H36N4O3/c1-19(2)6-9-25-23-15-24(27(33)16-26(23)30-29-25)28(34)32-17-20-7-8-22(14-21(20)18-32)35-13-12-31-10-4-3-5-11-31/h7-8,14-16,19,29-30H,3-6,9-13,17-18H2,1-2H3