sodium; 6-chloranyl-3-methanidyl-2-methyl-4-phenyl-isoquinolin-1-one; urea

Systemtic Name: sodium; 6-chloranyl-3-methanidyl-2-methyl-4-phenyl-isoquinolin-1-one; urea Openeye Name: sodium; 6-chloro-3-methanidyl-2-methyl-4-phenyl-isoquinolin-1-one; urea CAS Name: sodium; 6-chloro-3-methanidyl-2-methyl-4-phenyl-1-isoquinolinone; urea IUPAC Name: sodium; 6-chloro-3-methanidyl-2-methyl-4-phenylisoquinolin-1-one; urea Traditional Name: sodium; 6-chloro-3-methanidyl-2-methyl-4-phenyl-isocarbostyril; urea Formula: C18H17ClN3NaO2 MolecularWeight: 365.78925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)[CH2-].C(=O)(N)N.[Na+]

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)[CH2-].C(=O)(N)N.[Na+]

InChI

InChI=1S/C17H13ClNO.CH4N2O.Na/c1-11-16(12-6-4-3-5-7-12)15-10-13(18)8-9-14(15)17(20)19(11)2;2-1(3)4;/h3-10H,1H2,2H3;(H4,2,3,4);/q-1;;+1