N-butan-2-yl-1-[(4-fluorophenyl)amino]isoquinoline-4-carboxamide

Systemtic Name: N-butan-2-yl-1-[(4-fluorophenyl)amino]isoquinoline-4-carboxamide Openeye Name: 1-(4-fluoroanilino)-N-sec-butyl-isoquinoline-4-carboxamide CAS Name: N-butan-2-yl-1-(4-fluoroanilino)-4-isoquinolinecarboxamide IUPAC Name: N-butan-2-yl-1-(4-fluoroanilino)isoquinoline-4-carboxamide Traditional Name: 1-(4-fluoroanilino)-N-sec-butyl-isoquinoline-4-carboxamide Formula: C20H20FN3O MolecularWeight: 337.390703

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CN=C(C2=CC=CC=C21)NC3=CC=C(C=C3)F

Isomeric SMILES

CCC(C)NC(=O)C1=CN=C(C2=CC=CC=C21)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3O/c1-3-13(2)23-20(25)18-12-22-19(17-7-5-4-6-16(17)18)24-15-10-8-14(21)9-11-15/h4-13H,3H2,1-2H3,(H,22,24)(H,23,25)