2-(4-tert-butylphenyl)-N-[(E)-1-isoquinolin-5-ylethylideneamino]cyclopropane-1-carboxamide

Systemtic Name: 2-(4-tert-butylphenyl)-N-[(E)-1-isoquinolin-5-ylethylideneamino]cyclopropane-1-carboxamide Openeye Name: 2-(4-tert-butylphenyl)-N-[(E)-1-(5-isoquinolyl)ethylideneamino]cyclopropanecarboxamide CAS Name: 2-(4-tert-butylphenyl)-N-[(E)-1-(5-isoquinolinyl)ethylideneamino]-1-cyclopropanecarboxamide IUPAC Name: 2-(4-tert-butylphenyl)-N-[(E)-1-isoquinolin-5-ylethylideneamino]cyclopropane-1-carboxamide Traditional Name: 2-(4-tert-butylphenyl)-N-[(E)-1-(5-isoquinolyl)ethylideneamino]cyclopropanecarboxamide Formula: C25H27N3O MolecularWeight: 385.50138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1CC1C2=CC=C(C=C2)C(C)(C)C)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C/C(=N\NC(=O)C1CC1C2=CC=C(C=C2)C(C)(C)C)/C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H27N3O/c1-16(20-7-5-6-18-15-26-13-12-21(18)20)27-28-24(29)23-14-22(23)17-8-10-19(11-9-17)25(2,3)4/h5-13,15,22-23H,14H2,1-4H3,(H,28,29)/b27-16+