5-[oxidanyl-(4-phenylmethoxy-1,3-benzodioxol-5-yl)methyl]-6-(phenylcarbonyl)-[1,3]dioxolo[4,5-g]isoquinoline-5-carbonitrile

Systemtic Name: 5-[oxidanyl-(4-phenylmethoxy-1,3-benzodioxol-5-yl)methyl]-6-(phenylcarbonyl)-[1,3]dioxolo[4,5-g]isoquinoline-5-carbonitrile Openeye Name: 6-benzoyl-5-[(4-benzyloxy-1,3-benzodioxol-5-yl)-hydroxy-methyl]-[1,3]dioxolo[4,5-g]isoquinoline-5-carbonitrile CAS Name: 6-benzoyl-5-[hydroxy-(4-phenylmethoxy-1,3-benzodioxol-5-yl)methyl]-[1,3]dioxolo[4,5-g]isoquinoline-5-carbonitrile IUPAC Name: 6-benzoyl-5-[hydroxy-(4-phenylmethoxy-1,3-benzodioxol-5-yl)methyl]-[1,3]dioxolo[4,5-g]isoquinoline-5-carbonitrile Traditional Name: 5-[(4-benzoxy-1,3-benzodioxol-5-yl)-hydroxy-methyl]-6-benzoyl-[1,3]dioxol[4,5-g]isoquinoline-5-carbonitrile Formula: C33H24N2O7 MolecularWeight: 560.55286

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=C(C=C2)C(C3(C4=CC5=C(C=C4C=CN3C(=O)C6=CC=CC=C6)OCO5)C#N)O)OCC7=CC=CC=C7

Isomeric SMILES

C1OC2=C(O1)C(=C(C=C2)C(C3(C4=CC5=C(C=C4C=CN3C(=O)C6=CC=CC=C6)OCO5)C#N)O)OCC7=CC=CC=C7

InChI

InChI=1S/C33H24N2O7/c34-18-33(31(36)24-11-12-26-30(42-20-39-26)29(24)38-17-21-7-3-1-4-8-21)25-16-28-27(40-19-41-28)15-23(25)13-14-35(33)32(37)22-9-5-2-6-10-22/h1-16,31,36H,17,19-20H2