1-[[3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonyl]piperidine-4-carboxamide

Systemtic Name: 1-[[3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonyl]piperidine-4-carboxamide Openeye Name: 1-[3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinolin-4-yl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-(4-fluorophenyl)-1-keto-2-(2-methoxyethyl)-3,4-dihydroisoquinoline-4-carbonyl]isonipecotamide Formula: C25H28FN3O4 MolecularWeight: 453.505923

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCC(CC3)C(=O)N)C4=CC=C(C=C4)F

Isomeric SMILES

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCC(CC3)C(=O)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H28FN3O4/c1-33-15-14-29-22(16-6-8-18(26)9-7-16)21(19-4-2-3-5-20(19)24(29)31)25(32)28-12-10-17(11-13-28)23(27)30/h2-9,17,21-22H,10-15H2,1H3,(H2,27,30)