1-[1-(2,4-ditert-butylphenyl)ethyl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[1-(2,4-ditert-butylphenyl)ethyl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[1-(2,4-ditert-butylphenyl)ethyl]-3-(5-isoquinolyl)urea CAS Name: 1-[1-(2,4-ditert-butylphenyl)ethyl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[1-(2,4-ditert-butylphenyl)ethyl]-3-isoquinolin-5-ylurea Traditional Name: 1-[1-(2,4-ditert-butylphenyl)ethyl]-3-(5-isoquinolyl)urea Formula: C26H33N3O MolecularWeight: 403.55972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O/c1-17(20-12-11-19(25(2,3)4)15-22(20)26(5,6)7)28-24(30)29-23-10-8-9-18-16-27-14-13-21(18)23/h8-17H,1-7H3,(H2,28,29,30)