(3S)-6,7-dimethoxy-3-(2-piperazin-1-ylethylamino)-3H-2-benzofuran-1-one

Systemtic Name: (3S)-6,7-dimethoxy-3-(2-piperazin-1-ylethylamino)-3H-2-benzofuran-1-one Openeye Name: (3S)-6,7-dimethoxy-3-(2-piperazin-1-ylethylamino)-3H-isobenzofuran-1-one CAS Name: (3S)-6,7-dimethoxy-3-[2-(1-piperazinyl)ethylamino]-3H-isobenzofuran-1-one IUPAC Name: (3S)-6,7-dimethoxy-3-(2-piperazin-1-ylethylamino)-3H-2-benzofuran-1-one Traditional Name: (3S)-6,7-dimethoxy-3-(2-piperazinoethylamino)phthalide Formula: C16H23N3O4 MolecularWeight: 321.37152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)NCCN3CCNCC3)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@H](OC2=O)NCCN3CCNCC3)OC

InChI

InChI=1S/C16H23N3O4/c1-21-12-4-3-11-13(14(12)22-2)16(20)23-15(11)18-7-10-19-8-5-17-6-9-19/h3-4,15,17-18H,5-10H2,1-2H3/t15-/m0/s1