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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)F)Cl

InChI

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