1-[(3-chloranyl-4-methyl-phenyl)amino]-N-(2-fluorophenyl)isoquinoline-4-carboxamide

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)amino]-N-(2-fluorophenyl)isoquinoline-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-anilino)-N-(2-fluorophenyl)isoquinoline-4-carboxamide CAS Name: 1-(3-chloro-4-methylanilino)-N-(2-fluorophenyl)-4-isoquinolinecarboxamide IUPAC Name: 1-(3-chloro-4-methylanilino)-N-(2-fluorophenyl)isoquinoline-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-anilino)-N-(2-fluorophenyl)isoquinoline-4-carboxamide Formula: C23H17ClFN3O MolecularWeight: 405.851983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC=CC=C4F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC=CC=C4F)Cl

InChI

InChI=1S/C23H17ClFN3O/c1-14-10-11-15(12-19(14)24)27-22-17-7-3-2-6-16(17)18(13-26-22)23(29)28-21-9-5-4-8-20(21)25/h2-13H,1H3,(H,26,27)(H,28,29)