2-(4-tert-butylphenyl)-N-isoquinolin-5-yl-2-[methyl(phenyl)amino]ethanamide

Systemtic Name: 2-(4-tert-butylphenyl)-N-isoquinolin-5-yl-2-[methyl(phenyl)amino]ethanamide Openeye Name: 2-(4-tert-butylphenyl)-N-(5-isoquinolyl)-2-(N-methylanilino)acetamide CAS Name: 2-(4-tert-butylphenyl)-N-(5-isoquinolinyl)-2-(N-methylanilino)acetamide IUPAC Name: 2-(4-tert-butylphenyl)-N-isoquinolin-5-yl-2-(N-methylanilino)acetamide Traditional Name: 2-(4-tert-butylphenyl)-N-(5-isoquinolyl)-2-(N-methylanilino)acetamide Formula: C28H29N3O MolecularWeight: 423.54936

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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)N(C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O/c1-28(2,3)22-15-13-20(14-16-22)26(31(4)23-10-6-5-7-11-23)27(32)30-25-12-8-9-21-19-29-18-17-24(21)25/h5-19,26H,1-4H3,(H,30,32)