N-[(3-methoxy-4-prop-2-enoxy-phenyl)methyl]-1-oxidanylidene-N-(oxolan-2-ylmethyl)-2H-isoquinoline-3-carboxamide

Systemtic Name: N-[(3-methoxy-4-prop-2-enoxy-phenyl)methyl]-1-oxidanylidene-N-(oxolan-2-ylmethyl)-2H-isoquinoline-3-carboxamide Openeye Name: N-[(4-allyloxy-3-methoxy-phenyl)methyl]-1-oxo-N-(tetrahydrofuran-2-ylmethyl)-2H-isoquinoline-3-carboxamide CAS Name: N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-oxo-N-(2-oxolanylmethyl)-2H-isoquinoline-3-carboxamide IUPAC Name: N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-oxo-N-(oxolan-2-ylmethyl)-2H-isoquinoline-3-carboxamide Traditional Name: N-(4-allyloxy-3-methoxy-benzyl)-1-keto-N-(tetrahydrofurfuryl)-2H-isoquinoline-3-carboxamide Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(CC2CCCO2)C(=O)C3=CC4=CC=CC=C4C(=O)N3)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)CN(CC2CCCO2)C(=O)C3=CC4=CC=CC=C4C(=O)N3)OCC=C

InChI

InChI=1S/C26H28N2O5/c1-3-12-33-23-11-10-18(14-24(23)31-2)16-28(17-20-8-6-13-32-20)26(30)22-15-19-7-4-5-9-21(19)25(29)27-22/h3-5,7,9-11,14-15,20H,1,6,8,12-13,16-17H2,2H3,(H,27,29)