1-tert-butyl-3-[[5-(4-ethoxyphenyl)isoquinolin-8-yl]methyl]urea

Systemtic Name: 1-tert-butyl-3-[[5-(4-ethoxyphenyl)isoquinolin-8-yl]methyl]urea Openeye Name: 1-tert-butyl-3-[[5-(4-ethoxyphenyl)-8-isoquinolyl]methyl]urea CAS Name: 1-tert-butyl-3-[[5-(4-ethoxyphenyl)-8-isoquinolinyl]methyl]urea IUPAC Name: 1-tert-butyl-3-[[5-(4-ethoxyphenyl)isoquinolin-8-yl]methyl]urea Traditional Name: 1-tert-butyl-3-[(5-p-phenetyl-8-isoquinolyl)methyl]urea Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)NC(C)(C)C

InChI

InChI=1S/C23H27N3O2/c1-5-28-18-9-6-16(7-10-18)19-11-8-17(21-15-24-13-12-20(19)21)14-25-22(27)26-23(2,3)4/h6-13,15H,5,14H2,1-4H3,(H2,25,26,27)