7-methoxy-2-(phenylcarbonyl)-8-phenylmethoxy-1H-isoquinoline-1-carbonitrile

Systemtic Name: 7-methoxy-2-(phenylcarbonyl)-8-phenylmethoxy-1H-isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-8-benzyloxy-7-methoxy-1H-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-7-methoxy-8-phenylmethoxy-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-benzoyl-7-methoxy-8-phenylmethoxy-1H-isoquinoline-1-carbonitrile Traditional Name: 8-benzoxy-2-benzoyl-7-methoxy-1H-isoquinoline-1-carbonitrile Formula: C25H20N2O3 MolecularWeight: 396.4379

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=CN(C2C#N)C(=O)C3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C2=C(C=C1)C=CN(C2C#N)C(=O)C3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H20N2O3/c1-29-22-13-12-19-14-15-27(25(28)20-10-6-3-7-11-20)21(16-26)23(19)24(22)30-17-18-8-4-2-5-9-18/h2-15,21H,17H2,1H3