1-(8-chloranylisoquinolin-5-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl-urea

Systemtic Name: 1-(8-chloranylisoquinolin-5-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl-urea Openeye Name: 1-(8-chloro-5-isoquinolyl)-3-spiro[chromane-2,1'-cyclobutane]-4-yl-urea CAS Name: 1-(8-chloro-5-isoquinolinyl)-3-(4-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclobutane]yl)urea IUPAC Name: 1-(8-chloroisoquinolin-5-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea Traditional Name: 1-(8-chloro-5-isoquinolyl)-3-spiro[chroman-2,1'-cyclobutane]-4-yl-urea Formula: C22H20ClN3O2 MolecularWeight: 393.8661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2(C1)CC(C3=CC=CC=C3O2)NC(=O)NC4=C5C=CN=CC5=C(C=C4)Cl

Isomeric SMILES

C1CC2(C1)CC(C3=CC=CC=C3O2)NC(=O)NC4=C5C=CN=CC5=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN3O2/c23-17-6-7-18(14-8-11-24-13-16(14)17)25-21(27)26-19-12-22(9-3-10-22)28-20-5-2-1-4-15(19)20/h1-2,4-8,11,13,19H,3,9-10,12H2,(H2,25,26,27)