6,7,8-trimethoxy-1-(naphthalen-2-ylmethyl)-2-(phenylcarbonyl)isoquinoline-1-carbonitrile

Systemtic Name: 6,7,8-trimethoxy-1-(naphthalen-2-ylmethyl)-2-(phenylcarbonyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-6,7,8-trimethoxy-1-(2-naphthylmethyl)isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-6,7,8-trimethoxy-1-(2-naphthalenylmethyl)-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-6,7,8-trimethoxy-1-(naphthalen-2-ylmethyl)isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-6,7,8-trimethoxy-1-(2-naphthylmethyl)isoquinoline-1-carbonitrile Formula: C31H26N2O4 MolecularWeight: 490.54914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C=CN(C2(CC3=CC4=CC=CC=C4C=C3)C#N)C(=O)C5=CC=CC=C5)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C=CN(C2(CC3=CC4=CC=CC=C4C=C3)C#N)C(=O)C5=CC=CC=C5)OC)OC

InChI

InChI=1S/C31H26N2O4/c1-35-26-18-25-15-16-33(30(34)23-10-5-4-6-11-23)31(20-32,27(25)29(37-3)28(26)36-2)19-21-13-14-22-9-7-8-12-24(22)17-21/h4-18H,19H2,1-3H3