1-[1-(4-tert-butyl-2-methyl-phenyl)ethyl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[1-(4-tert-butyl-2-methyl-phenyl)ethyl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[1-(4-tert-butyl-2-methyl-phenyl)ethyl]-3-(5-isoquinolyl)urea CAS Name: 1-[1-(4-tert-butyl-2-methylphenyl)ethyl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[1-(4-tert-butyl-2-methylphenyl)ethyl]-3-isoquinolin-5-ylurea Traditional Name: 1-[1-(4-tert-butyl-2-methyl-phenyl)ethyl]-3-(5-isoquinolyl)urea Formula: C23H27N3O MolecularWeight: 361.47998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O/c1-15-13-18(23(3,4)5)9-10-19(15)16(2)25-22(27)26-21-8-6-7-17-14-24-12-11-20(17)21/h6-14,16H,1-5H3,(H2,25,26,27)