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

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)amino]-N-[(4-fluorophenyl)methyl]isoquinoline-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-anilino)-N-[(4-fluorophenyl)methyl]isoquinoline-4-carboxamide CAS Name: 1-(3-chloro-4-methylanilino)-N-[(4-fluorophenyl)methyl]-4-isoquinolinecarboxamide IUPAC Name: 1-(3-chloro-4-methylanilino)-N-[(4-fluorophenyl)methyl]isoquinoline-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-anilino)-N-(4-fluorobenzyl)isoquinoline-4-carboxamide Formula: C24H19ClFN3O MolecularWeight: 419.878563

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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)NCC4=CC=C(C=C4)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NCC4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C24H19ClFN3O/c1-15-6-11-18(12-22(15)25)29-23-20-5-3-2-4-19(20)21(14-27-23)24(30)28-13-16-7-9-17(26)10-8-16/h2-12,14H,13H2,1H3,(H,27,29)(H,28,30)