3-(2-isoquinolin-4-ylethyl)-N-(3-methyl-4-propan-2-yl-phenyl)benzamide

Systemtic Name: 3-(2-isoquinolin-4-ylethyl)-N-(3-methyl-4-propan-2-yl-phenyl)benzamide Openeye Name: N-(4-isopropyl-3-methyl-phenyl)-3-[2-(4-isoquinolyl)ethyl]benzamide CAS Name: 3-[2-(4-isoquinolinyl)ethyl]-N-(3-methyl-4-propan-2-ylphenyl)benzamide IUPAC Name: 3-(2-isoquinolin-4-ylethyl)-N-(3-methyl-4-propan-2-ylphenyl)benzamide Traditional Name: N-(4-isopropyl-3-methyl-phenyl)-3-[2-(4-isoquinolyl)ethyl]benzamide Formula: C28H28N2O MolecularWeight: 408.53472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)CCC3=CN=CC4=CC=CC=C43)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)CCC3=CN=CC4=CC=CC=C43)C(C)C

InChI

InChI=1S/C28H28N2O/c1-19(2)26-14-13-25(15-20(26)3)30-28(31)22-9-6-7-21(16-22)11-12-24-18-29-17-23-8-4-5-10-27(23)24/h4-10,13-19H,11-12H2,1-3H3,(H,30,31)