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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O/c1-23(2,3)15-18-9-7-17(8-10-18)11-14-25-22(27)26-21-6-4-5-19-16-24-13-12-20(19)21/h4-10,12-13,16H,11,14-15H2,1-3H3,(H2,25,26,27)