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

Systemtic Name: 1-(3-azanylisoquinolin-5-yl)-3-[(4-bromophenyl)methyl]urea Openeye Name: 1-(3-amino-5-isoquinolyl)-3-[(4-bromophenyl)methyl]urea CAS Name: 1-(3-amino-5-isoquinolinyl)-3-[(4-bromophenyl)methyl]urea IUPAC Name: 1-(3-aminoisoquinolin-5-yl)-3-[(4-bromophenyl)methyl]urea Traditional Name: 1-(3-amino-5-isoquinolyl)-3-(4-bromobenzyl)urea Formula: C17H15BrN4O MolecularWeight: 371.2312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CN=C(C=C2C(=C1)NC(=O)NCC3=CC=C(C=C3)Br)N

Isomeric SMILES

C1=CC2=CN=C(C=C2C(=C1)NC(=O)NCC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C17H15BrN4O/c18-13-6-4-11(5-7-13)9-21-17(23)22-15-3-1-2-12-10-20-16(19)8-14(12)15/h1-8,10H,9H2,(H2,19,20)(H2,21,22,23)