3-(aminomethyl)-6-chloranyl-2-ethyl-4-phenyl-isoquinolin-1-one

Systemtic Name: 3-(aminomethyl)-6-chloranyl-2-ethyl-4-phenyl-isoquinolin-1-one Openeye Name: 3-(aminomethyl)-6-chloro-2-ethyl-4-phenyl-isoquinolin-1-one CAS Name: 3-(aminomethyl)-6-chloro-2-ethyl-4-phenyl-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-6-chloro-2-ethyl-4-phenylisoquinolin-1-one Traditional Name: 3-(aminomethyl)-6-chloro-2-ethyl-4-phenyl-isocarbostyril Formula: C18H17ClN2O MolecularWeight: 312.79338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CN

Isomeric SMILES

CCN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CN

InChI

InChI=1S/C18H17ClN2O/c1-2-21-16(11-20)17(12-6-4-3-5-7-12)15-10-13(19)8-9-14(15)18(21)22/h3-10H,2,11,20H2,1H3