2-[4-azanyl-2-fluoranyl-5-(prop-2-ynylamino)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[4-azanyl-2-fluoranyl-5-(prop-2-ynylamino)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Openeye Name: 2-[4-amino-2-fluoro-5-(prop-2-ynylamino)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-amino-2-fluoro-5-(prop-2-ynylamino)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-amino-2-fluoro-5-(prop-2-ynylamino)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-amino-2-fluoro-5-(propargylamino)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-quinone Formula: C17H16FN3O2 MolecularWeight: 313.326243

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=C(C=C(C(=C1)N2C(=O)C3=C(C2=O)CCCC3)F)N

Isomeric SMILES

C#CCNC1=C(C=C(C(=C1)N2C(=O)C3=C(C2=O)CCCC3)F)N

InChI

InChI=1S/C17H16FN3O2/c1-2-7-20-14-9-15(12(18)8-13(14)19)21-16(22)10-5-3-4-6-11(10)17(21)23/h1,8-9,20H,3-7,19H2