1-[2,3-bis(oxidanyl)propoxy]-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile

Systemtic Name: 1-[2,3-bis(oxidanyl)propoxy]-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile Openeye Name: 1-(2,3-dihydroxypropoxy)-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile CAS Name: 1-(2,3-dihydroxypropoxy)-6-methoxy-4-phenyl-3-isoquinolinecarbonitrile IUPAC Name: 1-(2,3-dihydroxypropoxy)-6-methoxy-4-phenylisoquinoline-3-carbonitrile Traditional Name: 1-glyceryloxy-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC=CC=C3)C#N)OCC(CO)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC=CC=C3)C#N)OCC(CO)O

InChI

InChI=1S/C20H18N2O4/c1-25-15-7-8-16-17(9-15)19(13-5-3-2-4-6-13)18(10-21)22-20(16)26-12-14(24)11-23/h2-9,14,23-24H,11-12H2,1H3