1-[6-bromanyl-1-(phenylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[6-bromanyl-1-(phenylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-isoquinolin-5-yl-urea Openeye Name: 1-(1-benzyl-6-bromo-tetralin-2-yl)-3-(5-isoquinolyl)urea CAS Name: 1-[6-bromo-1-(phenylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-(1-benzyl-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-3-isoquinolin-5-ylurea Traditional Name: 1-(1-benzyl-6-bromo-tetralin-2-yl)-3-(5-isoquinolyl)urea Formula: C27H24BrN3O MolecularWeight: 486.40296

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)Br)C(C1NC(=O)NC3=CC=CC4=C3C=CN=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C=CC(=C2)Br)C(C1NC(=O)NC3=CC=CC4=C3C=CN=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H24BrN3O/c28-21-10-11-22-19(16-21)9-12-26(24(22)15-18-5-2-1-3-6-18)31-27(32)30-25-8-4-7-20-17-29-14-13-23(20)25/h1-8,10-11,13-14,16-17,24,26H,9,12,15H2,(H2,30,31,32)