1-isoquinolin-5-yl-3-(7-oxidanylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)urea

Systemtic Name: 1-isoquinolin-5-yl-3-(7-oxidanylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)urea Openeye Name: 1-(7-hydroxyspiro[chromane-2,1'-cyclobutane]-4-yl)-3-(5-isoquinolyl)urea CAS Name: 1-(7-hydroxy-4-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclobutane]yl)-3-(5-isoquinolinyl)urea IUPAC Name: 1-(7-hydroxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-isoquinolin-5-ylurea Traditional Name: 1-(7-hydroxyspiro[chroman-2,1'-cyclobutane]-4-yl)-3-(5-isoquinolyl)urea Formula: C22H21N3O3 MolecularWeight: 375.42044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2(C1)CC(C3=C(O2)C=C(C=C3)O)NC(=O)NC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CC2(C1)CC(C3=C(O2)C=C(C=C3)O)NC(=O)NC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C22H21N3O3/c26-15-5-6-17-19(12-22(8-2-9-22)28-20(17)11-15)25-21(27)24-18-4-1-3-14-13-23-10-7-16(14)18/h1,3-7,10-11,13,19,26H,2,8-9,12H2,(H2,24,25,27)