4-[5-[(pyridin-3-ylmethylamino)methyl]furan-2-yl]-5,6,7,8-tetrahydro-2H-isoquinolin-1-one

Systemtic Name: 4-[5-[(pyridin-3-ylmethylamino)methyl]furan-2-yl]-5,6,7,8-tetrahydro-2H-isoquinolin-1-one Openeye Name: 4-[5-[(3-pyridylmethylamino)methyl]-2-furyl]-5,6,7,8-tetrahydro-2H-isoquinolin-1-one CAS Name: 4-[5-[(3-pyridinylmethylamino)methyl]-2-furanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-1-one IUPAC Name: 4-[5-[(pyridin-3-ylmethylamino)methyl]furan-2-yl]-5,6,7,8-tetrahydro-2H-isoquinolin-1-one Traditional Name: 4-[5-[(3-pyridylmethylamino)methyl]-2-furyl]-5,6,7,8-tetrahydro-2H-isoquinolin-1-one Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CNC2=O)C3=CC=C(O3)CNCC4=CN=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=CNC2=O)C3=CC=C(O3)CNCC4=CN=CC=C4

InChI

InChI=1S/C20H21N3O2/c24-20-17-6-2-1-5-16(17)18(13-23-20)19-8-7-15(25-19)12-22-11-14-4-3-9-21-10-14/h3-4,7-10,13,22H,1-2,5-6,11-12H2,(H,23,24)