1-[(2-fluorophenyl)methyl]-7-methoxy-2-(phenylcarbonyl)-8-phenylmethoxy-isoquinoline-1-carbonitrile

Systemtic Name: 1-[(2-fluorophenyl)methyl]-7-methoxy-2-(phenylcarbonyl)-8-phenylmethoxy-isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-8-benzyloxy-1-[(2-fluorophenyl)methyl]-7-methoxy-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-[(2-fluorophenyl)methyl]-7-methoxy-8-phenylmethoxy-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-[(2-fluorophenyl)methyl]-7-methoxy-8-phenylmethoxyisoquinoline-1-carbonitrile Traditional Name: 8-benzoxy-2-benzoyl-1-(2-fluorobenzyl)-7-methoxy-isoquinoline-1-carbonitrile Formula: C32H25FN2O3 MolecularWeight: 504.550903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=CN(C2(CC3=CC=CC=C3F)C#N)C(=O)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C2=C(C=C1)C=CN(C2(CC3=CC=CC=C3F)C#N)C(=O)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C32H25FN2O3/c1-37-28-17-16-24-18-19-35(31(36)25-12-6-3-7-13-25)32(22-34,20-26-14-8-9-15-27(26)33)29(24)30(28)38-21-23-10-4-2-5-11-23/h2-19H,20-21H2,1H3