2-(4-tert-butylphenyl)-N-isoquinolin-5-yl-2-phenylazanyl-ethanamide

Systemtic Name: 2-(4-tert-butylphenyl)-N-isoquinolin-5-yl-2-phenylazanyl-ethanamide Openeye Name: 2-anilino-2-(4-tert-butylphenyl)-N-(5-isoquinolyl)acetamide CAS Name: 2-anilino-2-(4-tert-butylphenyl)-N-(5-isoquinolinyl)acetamide IUPAC Name: 2-anilino-2-(4-tert-butylphenyl)-N-isoquinolin-5-ylacetamide Traditional Name: 2-anilino-2-(4-tert-butylphenyl)-N-(5-isoquinolyl)acetamide Formula: C27H27N3O MolecularWeight: 409.52278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C(=O)NC2=CC=CC3=C2C=CN=C3)NC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C(=O)NC2=CC=CC3=C2C=CN=C3)NC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O/c1-27(2,3)21-14-12-19(13-15-21)25(29-22-9-5-4-6-10-22)26(31)30-24-11-7-8-20-18-28-17-16-23(20)24/h4-18,25,29H,1-3H3,(H,30,31)