2-[(2R)-3-(2-methoxy-4-prop-2-enyl-phenoxy)-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[(2R)-3-(2-methoxy-4-prop-2-enyl-phenoxy)-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[(2R)-3-(4-allyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[(2R)-3-(4-allyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-4-(2-thienyl)phthalazin-1-one Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OC[C@@H](CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)O

InChI

InChI=1S/C25H24N2O4S/c1-3-7-17-11-12-21(22(14-17)30-2)31-16-18(28)15-27-25(29)20-9-5-4-8-19(20)24(26-27)23-10-6-13-32-23/h3-6,8-14,18,28H,1,7,15-16H2,2H3/t18-/m1/s1