N-[[5-(4-ethoxyphenyl)isoquinolin-8-yl]methyl]-3-phenyl-propanamide

Systemtic Name: N-[[5-(4-ethoxyphenyl)isoquinolin-8-yl]methyl]-3-phenyl-propanamide Openeye Name: N-[[5-(4-ethoxyphenyl)-8-isoquinolyl]methyl]-3-phenyl-propanamide CAS Name: N-[[5-(4-ethoxyphenyl)-8-isoquinolinyl]methyl]-3-phenylpropanamide IUPAC Name: N-[[5-(4-ethoxyphenyl)isoquinolin-8-yl]methyl]-3-phenylpropanamide Traditional Name: 3-phenyl-N-[(5-p-phenetyl-8-isoquinolyl)methyl]propionamide Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O2/c1-2-31-23-12-9-21(10-13-23)24-14-11-22(26-19-28-17-16-25(24)26)18-29-27(30)15-8-20-6-4-3-5-7-20/h3-7,9-14,16-17,19H,2,8,15,18H2,1H3,(H,29,30)