1-[(4-tert-butylphenyl)methyl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-(5-isoquinolyl)urea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-isoquinolin-5-ylurea Traditional Name: 1-(4-tert-butylbenzyl)-3-(5-isoquinolyl)urea Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O/c1-21(2,3)17-9-7-15(8-10-17)13-23-20(25)24-19-6-4-5-16-14-22-12-11-18(16)19/h4-12,14H,13H2,1-3H3,(H2,23,24,25)