1-(2-chlorophenyl)-N-[(E)-4-fluoranylbut-3-en-2-yl]-N-methyl-isoquinoline-3-carboxamide

Systemtic Name: 1-(2-chlorophenyl)-N-[(E)-4-fluoranylbut-3-en-2-yl]-N-methyl-isoquinoline-3-carboxamide Openeye Name: 1-(2-chlorophenyl)-N-[(E)-3-fluoranyl-1-methyl-allyl]-N-methyl-isoquinoline-3-carboxamide CAS Name: 1-(2-chlorophenyl)-N-[(E)-4-fluoranylbut-3-en-2-yl]-N-methyl-3-isoquinolinecarboxamide IUPAC Name: 1-(2-chlorophenyl)-N-[(E)-4-fluoranylbut-3-en-2-yl]-N-methylisoquinoline-3-carboxamide Traditional Name: 1-(2-chlorophenyl)-N-[(E)-3-fluoranyl-1-methyl-allyl]-N-methyl-isoquinoline-3-carboxamide Formula: C21H18ClFN2O MolecularWeight: 367.834358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CF)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl

Isomeric SMILES

CC(/C=C/[18F])N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H18ClFN2O/c1-14(11-12-23)25(2)21(26)19-13-15-7-3-4-8-16(15)20(24-19)17-9-5-6-10-18(17)22/h3-14H,1-2H3/b12-11+/i23-1