1-[3-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[3-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[3-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(5-isoquinolyl)urea CAS Name: 1-[3-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[3-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-isoquinolin-5-ylurea Traditional Name: 1-[3-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(5-isoquinolyl)urea Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2CC3C(C2)C3NC(=O)NC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2CC3C(C2)C3NC(=O)NC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C25H28N4O/c1-25(2,3)17-7-9-18(10-8-17)29-14-20-21(15-29)23(20)28-24(30)27-22-6-4-5-16-13-26-12-11-19(16)22/h4-13,20-21,23H,14-15H2,1-3H3,(H2,27,28,30)