[4-[(3-bromanyl-4-fluoranyl-phenyl)amino]-3-cyano-1,4,4a,8a-tetrahydroquinolin-7-yl] carbamate

Systemtic Name: [4-[(3-bromanyl-4-fluoranyl-phenyl)amino]-3-cyano-1,4,4a,8a-tetrahydroquinolin-7-yl] carbamate Openeye Name: [4-(3-bromo-4-fluoro-anilino)-3-cyano-1,4,4a,8a-tetrahydroquinolin-7-yl] carbamate CAS Name: carbamic acid [4-(3-bromo-4-fluoroanilino)-3-cyano-1,4,4a,8a-tetrahydroquinolin-7-yl] ester IUPAC Name: [4-(3-bromo-4-fluoroanilino)-3-cyano-1,4,4a,8a-tetrahydroquinolin-7-yl] carbamate Traditional Name: carbamic acid [4-(3-bromo-4-fluoro-anilino)-3-cyano-1,4,4a,8a-tetrahydroquinolin-7-yl] ester Formula: C17H14BrFN4O2 MolecularWeight: 405.221063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2C1C(C(=CN2)C#N)NC3=CC(=C(C=C3)F)Br)OC(=O)N

Isomeric SMILES

C1=CC(=CC2C1C(C(=CN2)C#N)NC3=CC(=C(C=C3)F)Br)OC(=O)N

InChI

InChI=1S/C17H14BrFN4O2/c18-13-5-10(1-4-14(13)19)23-16-9(7-20)8-22-15-6-11(25-17(21)24)2-3-12(15)16/h1-6,8,12,15-16,22-23H,(H2,21,24)