6,7-dimethoxy-2-(phenylcarbonyl)-1-(3-phenylprop-2-ynyl)isoquinoline-1-carbonitrile

Systemtic Name: 6,7-dimethoxy-2-(phenylcarbonyl)-1-(3-phenylprop-2-ynyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-6,7-dimethoxy-1-(3-phenylprop-2-ynyl)isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-6,7-dimethoxy-1-(3-phenylprop-2-ynyl)-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-6,7-dimethoxy-1-(3-phenylprop-2-ynyl)isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-6,7-dimethoxy-1-(3-phenylprop-2-ynyl)isoquinoline-1-carbonitrile Formula: C28H22N2O3 MolecularWeight: 434.48588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN(C2(CC#CC3=CC=CC=C3)C#N)C(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN(C2(CC#CC3=CC=CC=C3)C#N)C(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C28H22N2O3/c1-32-25-18-23-15-17-30(27(31)22-13-7-4-8-14-22)28(20-29,24(23)19-26(25)33-2)16-9-12-21-10-5-3-6-11-21/h3-8,10-11,13-15,17-19H,16H2,1-2H3