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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-(1,3-dimethylisoquinolin-5-yl)urea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-(1,3-dimethyl-5-isoquinolyl)urea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-(1,3-dimethyl-5-isoquinolinyl)urea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-(1,3-dimethylisoquinolin-5-yl)urea Traditional Name: 1-(4-tert-butylbenzyl)-3-(1,3-dimethyl-5-isoquinolyl)urea Formula: C23H27N3O MolecularWeight: 361.47998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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