N-[2-(3,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-isoquinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide Traditional Name: N-homoveratrylisoquinoline-1-carboxamide Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=NC=CC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=NC=CC3=CC=CC=C32)OC

InChI

InChI=1S/C20H20N2O3/c1-24-17-8-7-14(13-18(17)25-2)9-11-22-20(23)19-16-6-4-3-5-15(16)10-12-21-19/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,23)