2-[3-(azepan-1-yl)-2-oxidanyl-propyl]-5,6,7-trimethoxy-phthalazin-1-one

Systemtic Name: 2-[3-(azepan-1-yl)-2-oxidanyl-propyl]-5,6,7-trimethoxy-phthalazin-1-one Openeye Name: 2-[3-(azepan-1-yl)-2-hydroxy-propyl]-5,6,7-trimethoxy-phthalazin-1-one CAS Name: 2-[3-(1-azepanyl)-2-hydroxypropyl]-5,6,7-trimethoxy-1-phthalazinone IUPAC Name: 2-[3-(azepan-1-yl)-2-hydroxypropyl]-5,6,7-trimethoxyphthalazin-1-one Traditional Name: 2-[3-(azepan-1-yl)-2-hydroxy-propyl]-5,6,7-trimethoxy-phthalazin-1-one Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C=NN(C(=O)C2=C1)CC(CN3CCCCCC3)O)OC)OC

Isomeric SMILES

COC1=C(C(=C2C=NN(C(=O)C2=C1)CC(CN3CCCCCC3)O)OC)OC

InChI

InChI=1S/C20H29N3O5/c1-26-17-10-15-16(18(27-2)19(17)28-3)11-21-23(20(15)25)13-14(24)12-22-8-6-4-5-7-9-22/h10-11,14,24H,4-9,12-13H2,1-3H3