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

Systemtic Name: 1-isoquinolin-5-yl-3-[6-methoxy-1-(phenylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]urea Openeye Name: 1-(1-benzyl-6-methoxy-tetralin-2-yl)-3-(5-isoquinolyl)urea CAS Name: 1-(5-isoquinolinyl)-3-[6-methoxy-1-(phenylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]urea IUPAC Name: 1-(1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-isoquinolin-5-ylurea Traditional Name: 1-(1-benzyl-6-methoxy-tetralin-2-yl)-3-(5-isoquinolyl)urea Formula: C28H27N3O2 MolecularWeight: 437.53288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C(CC2)NC(=O)NC3=CC=CC4=C3C=CN=C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(C(CC2)NC(=O)NC3=CC=CC4=C3C=CN=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O2/c1-33-22-11-12-23-20(17-22)10-13-27(25(23)16-19-6-3-2-4-7-19)31-28(32)30-26-9-5-8-21-18-29-15-14-24(21)26/h2-9,11-12,14-15,17-18,25,27H,10,13,16H2,1H3,(H2,30,31,32)