5-[(5-bromanyl-1,3-dihydroisoindol-2-yl)carbonyl]-3-butyl-1,2-dihydroindazol-6-one

Systemtic Name: 5-[(5-bromanyl-1,3-dihydroisoindol-2-yl)carbonyl]-3-butyl-1,2-dihydroindazol-6-one Openeye Name: 5-(5-bromoisoindoline-2-carbonyl)-3-butyl-1,2-dihydroindazol-6-one CAS Name: 5-[(5-bromo-1,3-dihydroisoindol-2-yl)-oxomethyl]-3-butyl-1,2-dihydroindazol-6-one IUPAC Name: 5-(5-bromo-1,3-dihydroisoindole-2-carbonyl)-3-butyl-1,2-dihydroindazol-6-one Traditional Name: 5-(5-bromoisoindoline-2-carbonyl)-3-butyl-1,2-dihydroindazol-6-one Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=C(C(=O)C=C2NN1)C(=O)N3CC4=C(C3)C=C(C=C4)Br

Isomeric SMILES

CCCCC1=C2C=C(C(=O)C=C2NN1)C(=O)N3CC4=C(C3)C=C(C=C4)Br

InChI

InChI=1S/C20H20BrN3O2/c1-2-3-4-17-15-8-16(19(25)9-18(15)23-22-17)20(26)24-10-12-5-6-14(21)7-13(12)11-24/h5-9,22-23H,2-4,10-11H2,1H3