6-chloranyl-3-(isocyanatomethyl)-2-methyl-4-phenyl-isoquinolin-1-one

Systemtic Name: 6-chloranyl-3-(isocyanatomethyl)-2-methyl-4-phenyl-isoquinolin-1-one Openeye Name: 6-chloro-3-(isocyanatomethyl)-2-methyl-4-phenyl-isoquinolin-1-one CAS Name: 6-chloro-3-(isocyanatomethyl)-2-methyl-4-phenyl-1-isoquinolinone IUPAC Name: 6-chloro-3-(isocyanatomethyl)-2-methyl-4-phenylisoquinolin-1-one Traditional Name: 6-chloro-3-(isocyanatomethyl)-2-methyl-4-phenyl-isocarbostyril Formula: C18H13ClN2O2 MolecularWeight: 324.76102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CN=C=O

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CN=C=O

InChI

InChI=1S/C18H13ClN2O2/c1-21-16(10-20-11-22)17(12-5-3-2-4-6-12)15-9-13(19)7-8-14(15)18(21)23/h2-9H,10H2,1H3