2-(2-oxidanyl-3-phenylmethoxy-propyl)-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-(2-oxidanyl-3-phenylmethoxy-propyl)-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-(3-benzyloxy-2-hydroxy-propyl)-4-(2-thienyl)phthalazin-1-one CAS Name: 2-(2-hydroxy-3-phenylmethoxypropyl)-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-(2-hydroxy-3-phenylmethoxypropyl)-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-(3-benzoxy-2-hydroxy-propyl)-4-(2-thienyl)phthalazin-1-one Formula: C22H20N2O3S MolecularWeight: 392.4708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)O

Isomeric SMILES

C1=CC=C(C=C1)COCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)O

InChI

InChI=1S/C22H20N2O3S/c25-17(15-27-14-16-7-2-1-3-8-16)13-24-22(26)19-10-5-4-9-18(19)21(23-24)20-11-6-12-28-20/h1-12,17,25H,13-15H2