(E)-3-[4-[[6-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-yl]methyl]phenyl]prop-2-enamide

Systemtic Name: (E)-3-[4-[[6-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-yl]methyl]phenyl]prop-2-enamide Openeye Name: (E)-3-[4-[[6-(2-pyrrolidin-1-ylethoxy)-1-isoquinolyl]methyl]phenyl]prop-2-enamide CAS Name: (E)-3-[4-[[6-[2-(1-pyrrolidinyl)ethoxy]-1-isoquinolinyl]methyl]phenyl]-2-propenamide IUPAC Name: (E)-3-[4-[[6-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-yl]methyl]phenyl]prop-2-enamide Traditional Name: (E)-3-[4-[[6-(2-pyrrolidinoethoxy)-1-isoquinolyl]methyl]phenyl]acrylamide Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC3=C(C=C2)C(=NC=C3)CC4=CC=C(C=C4)C=CC(=O)N

Isomeric SMILES

C1CCN(C1)CCOC2=CC3=C(C=C2)C(=NC=C3)CC4=CC=C(C=C4)/C=C/C(=O)N

InChI

InChI=1S/C25H27N3O2/c26-25(29)10-7-19-3-5-20(6-4-19)17-24-23-9-8-22(18-21(23)11-12-27-24)30-16-15-28-13-1-2-14-28/h3-12,18H,1-2,13-17H2,(H2,26,29)/b10-7+