N-[(3S)-1-(3-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[(3S)-1-(3-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(3S)-1-(3-fluorophenyl)-5-oxo-pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(3S)-1-(3-fluorophenyl)-5-oxo-3-pyrrolidinyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(3S)-1-(3-fluorophenyl)-5-keto-pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C20H20FN3O2 MolecularWeight: 353.390103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)NC3CC(=O)N(C3)C4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)N[C@H]3CC(=O)N(C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C20H20FN3O2/c21-16-6-3-7-18(10-16)24-13-17(11-19(24)25)22-20(26)23-9-8-14-4-1-2-5-15(14)12-23/h1-7,10,17H,8-9,11-13H2,(H,22,26)/t17-/m0/s1