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

Systemtic Name: 1-[(4-bromophenyl)methyl]-3-(1,3-dimethylisoquinolin-5-yl)urea Openeye Name: 1-[(4-bromophenyl)methyl]-3-(1,3-dimethyl-5-isoquinolyl)urea CAS Name: 1-[(4-bromophenyl)methyl]-3-(1,3-dimethyl-5-isoquinolinyl)urea IUPAC Name: 1-[(4-bromophenyl)methyl]-3-(1,3-dimethylisoquinolin-5-yl)urea Traditional Name: 1-(4-bromobenzyl)-3-(1,3-dimethyl-5-isoquinolyl)urea Formula: C19H18BrN3O MolecularWeight: 384.26972

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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O/c1-12-10-17-16(13(2)22-12)4-3-5-18(17)23-19(24)21-11-14-6-8-15(20)9-7-14/h3-10H,11H2,1-2H3,(H2,21,23,24)