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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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