5-methoxy-2-(phenylcarbonyl)-1-(phenylmethyl)isoquinoline-1-carbonitrile

Systemtic Name: 5-methoxy-2-(phenylcarbonyl)-1-(phenylmethyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-benzyl-5-methoxy-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-5-methoxy-1-(phenylmethyl)-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-benzyl-5-methoxyisoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-benzyl-5-methoxy-isoquinoline-1-carbonitrile Formula: C25H20N2O2 MolecularWeight: 380.4385

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C=CN(C2(CC3=CC=CC=C3)C#N)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1C=CN(C2(CC3=CC=CC=C3)C#N)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H20N2O2/c1-29-23-14-8-13-22-21(23)15-16-27(24(28)20-11-6-3-7-12-20)25(22,18-26)17-19-9-4-2-5-10-19/h2-16H,17H2,1H3