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4-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]-2-propyl-benzoate

4-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]-2-propyl-benzoate

Systemtic Name:4-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]-2-propyl-benzoate
Openeye Name:4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]-2-propyl-benzoate
CAS Name:4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]-2-propylbenzoate
IUPAC Name:4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]-2-propylbenzoate
Traditional Name:4-[4-(3,4-dimethoxyphenyl)-1-keto-4a,5,8,8a-tetrahydrophthalazin-2-yl]-2-propyl-benzoate
Formula: C26H27N2O5-
MolecularWeight: 447.50298
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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)N2C(=O)C3CC=CCC3C(=N2)C4=CC(=C(C=C4)OC)OC)C(=O)[O-]


Isomeric SMILES

CCCC1=C(C=CC(=C1)N2C(=O)C3CC=CCC3C(=N2)C4=CC(=C(C=C4)OC)OC)C(=O)[O-]


InChI

InChI=1S/C26H28N2O5/c1-4-7-16-14-18(11-12-19(16)26(30)31)28-25(29)21-9-6-5-8-20(21)24(27-28)17-10-13-22(32-2)23(15-17)33-3/h5-6,10-15,20-21H,4,7-9H2,1-3H3,(H,30,31)/p-1


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