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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-(3-methylisoquinolin-5-yl)urea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-(3-methyl-5-isoquinolyl)urea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-(3-methyl-5-isoquinolinyl)urea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-(3-methylisoquinolin-5-yl)urea Traditional Name: 1-(4-tert-butylbenzyl)-3-(3-methyl-5-isoquinolyl)urea Formula: C22H25N3O MolecularWeight: 347.4534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H25N3O/c1-15-12-19-17(14-23-15)6-5-7-20(19)25-21(26)24-13-16-8-10-18(11-9-16)22(2,3)4/h5-12,14H,13H2,1-4H3,(H2,24,25,26)