2-(phenylcarbonyl)-5,7-bis(phenylmethoxy)-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-(phenylcarbonyl)-5,7-bis(phenylmethoxy)-1H-isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-5,7-dibenzyloxy-1H-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-5,7-bis(phenylmethoxy)-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-benzoyl-5,7-bis(phenylmethoxy)-1H-isoquinoline-1-carbonitrile Traditional Name: 5,7-dibenzoxy-2-benzoyl-1H-isoquinoline-1-carbonitrile Formula: C31H24N2O3 MolecularWeight: 472.53386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=C3C=CN(C(C3=C2)C#N)C(=O)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=C3C=CN(C(C3=C2)C#N)C(=O)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H24N2O3/c32-20-29-28-18-26(35-21-23-10-4-1-5-11-23)19-30(36-22-24-12-6-2-7-13-24)27(28)16-17-33(29)31(34)25-14-8-3-9-15-25/h1-19,29H,21-22H2