N-butan-2-yl-1-(2-fluoranyl-5-nitro-phenyl)-N-methyl-isoquinoline-3-carboxamide

Systemtic Name: N-butan-2-yl-1-(2-fluoranyl-5-nitro-phenyl)-N-methyl-isoquinoline-3-carboxamide Openeye Name: 1-(2-fluoranyl-5-nitro-phenyl)-N-methyl-N-sec-butyl-isoquinoline-3-carboxamide CAS Name: N-butan-2-yl-1-(2-fluoranyl-5-nitrophenyl)-N-methyl-3-isoquinolinecarboxamide IUPAC Name: N-butan-2-yl-1-(2-fluoranyl-5-nitrophenyl)-N-methylisoquinoline-3-carboxamide Traditional Name: 1-(2-fluoranyl-5-nitro-phenyl)-N-methyl-N-sec-butyl-isoquinoline-3-carboxamide Formula: C21H20FN3O3 MolecularWeight: 380.402738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=C(C=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

CCC(C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=C(C=CC(=C3)[N+](=O)[O-])[18F]

InChI

InChI=1S/C21H20FN3O3/c1-4-13(2)24(3)21(26)19-11-14-7-5-6-8-16(14)20(23-19)17-12-15(25(27)28)9-10-18(17)22/h5-13H,4H2,1-3H3/i22-1