3-(isoquinolin-4-ylmethoxy)-N-(1,1,3,3-tetramethyl-2-benzofuran-5-yl)benzamide

Systemtic Name: 3-(isoquinolin-4-ylmethoxy)-N-(1,1,3,3-tetramethyl-2-benzofuran-5-yl)benzamide Openeye Name: 3-(4-isoquinolylmethoxy)-N-(1,1,3,3-tetramethylisobenzofuran-5-yl)benzamide CAS Name: 3-(4-isoquinolinylmethoxy)-N-(1,1,3,3-tetramethyl-5-isobenzofuranyl)benzamide IUPAC Name: 3-(isoquinolin-4-ylmethoxy)-N-(1,1,3,3-tetramethyl-2-benzofuran-5-yl)benzamide Traditional Name: 3-(4-isoquinolylmethoxy)-N-(1,1,3,3-tetramethylphthalan-5-yl)benzamide Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OCC4=CN=CC5=CC=CC=C54)C(O1)(C)C)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OCC4=CN=CC5=CC=CC=C54)C(O1)(C)C)C

InChI

InChI=1S/C29H28N2O3/c1-28(2)25-13-12-22(15-26(25)29(3,4)34-28)31-27(32)19-9-7-10-23(14-19)33-18-21-17-30-16-20-8-5-6-11-24(20)21/h5-17H,18H2,1-4H3,(H,31,32)