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

Systemtic Name: 1-[(4-bromophenyl)methyl]-3-(1-methylisoquinolin-5-yl)urea Openeye Name: 1-[(4-bromophenyl)methyl]-3-(1-methyl-5-isoquinolyl)urea CAS Name: 1-[(4-bromophenyl)methyl]-3-(1-methyl-5-isoquinolinyl)urea IUPAC Name: 1-[(4-bromophenyl)methyl]-3-(1-methylisoquinolin-5-yl)urea Traditional Name: 1-(4-bromobenzyl)-3-(1-methyl-5-isoquinolyl)urea Formula: C18H16BrN3O MolecularWeight: 370.24314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=C1C=CC=C2NC(=O)NCC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NC=CC2=C1C=CC=C2NC(=O)NCC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN3O/c1-12-15-3-2-4-17(16(15)9-10-20-12)22-18(23)21-11-13-5-7-14(19)8-6-13/h2-10H,11H2,1H3,(H2,21,22,23)