1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-(5-isoquinolyl)urea CAS Name: 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-isoquinolin-5-ylurea Traditional Name: 1-(5-isoquinolyl)-3-(4-neopentylbenzyl)urea Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CC=C(C=C1)CNC(=O)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)(C)CC1=CC=C(C=C1)CNC(=O)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C22H25N3O/c1-22(2,3)13-16-7-9-17(10-8-16)14-24-21(26)25-20-6-4-5-18-15-23-12-11-19(18)20/h4-12,15H,13-14H2,1-3H3,(H2,24,25,26)