1-methoxy-3-[(Z)-7-(oxan-2-yloxy)hept-1-en-3-ynyl]isoquinoline

Systemtic Name: 1-methoxy-3-[(Z)-7-(oxan-2-yloxy)hept-1-en-3-ynyl]isoquinoline Openeye Name: 1-methoxy-3-[(Z)-7-tetrahydropyran-2-yloxyhept-1-en-3-ynyl]isoquinoline CAS Name: 1-methoxy-3-[(Z)-7-(2-oxanyloxy)hept-1-en-3-ynyl]isoquinoline IUPAC Name: 1-methoxy-3-[(Z)-7-(oxan-2-yloxy)hept-1-en-3-ynyl]isoquinoline Traditional Name: 1-methoxy-3-[(Z)-7-tetrahydropyran-2-yloxyhept-1-en-3-ynyl]isoquinoline Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=CC2=CC=CC=C21)C=CC#CCCCOC3CCCCO3

Isomeric SMILES

COC1=NC(=CC2=CC=CC=C21)/C=C\C#CCCCOC3CCCCO3

InChI

InChI=1S/C22H25NO3/c1-24-22-20-13-7-6-11-18(20)17-19(23-22)12-5-3-2-4-9-15-25-21-14-8-10-16-26-21/h5-7,11-13,17,21H,4,8-10,14-16H2,1H3/b12-5-