3-(diethylamino)propyl 7-fluoranyl-1-phenyl-2H-isoquinoline-1-carboxylate

Systemtic Name: 3-(diethylamino)propyl 7-fluoranyl-1-phenyl-2H-isoquinoline-1-carboxylate Openeye Name: 3-(diethylamino)propyl 7-fluoro-1-phenyl-2H-isoquinoline-1-carboxylate CAS Name: 7-fluoro-1-phenyl-2H-isoquinoline-1-carboxylic acid 3-(diethylamino)propyl ester IUPAC Name: 3-(diethylamino)propyl 7-fluoro-1-phenyl-2H-isoquinoline-1-carboxylate Traditional Name: 7-fluoro-1-phenyl-2H-isoquinoline-1-carboxylic acid 3-(diethylamino)propyl ester Formula: C23H27FN2O2 MolecularWeight: 382.471083

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCOC(=O)C1(C2=C(C=CC(=C2)F)C=CN1)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCCOC(=O)C1(C2=C(C=CC(=C2)F)C=CN1)C3=CC=CC=C3

InChI

InChI=1S/C23H27FN2O2/c1-3-26(4-2)15-8-16-28-22(27)23(19-9-6-5-7-10-19)21-17-20(24)12-11-18(21)13-14-25-23/h5-7,9-14,17,25H,3-4,8,15-16H2,1-2H3