4-[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl]-3-fluoranyl-N-methyl-benzamide

Systemtic Name: 4-[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl]-3-fluoranyl-N-methyl-benzamide Openeye Name: 4-[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-3-fluoro-N-methyl-benzamide CAS Name: 4-[2-[(3S)-1-cyclobutyl-3-pyrrolidinyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-3-fluoro-N-methylbenzamide IUPAC Name: 4-[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-3-fluoro-N-methylbenzamide Traditional Name: 4-[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-keto-3,4-dihydroisoquinolin-6-yl]-3-fluoro-N-methyl-benzamide Formula: C25H28FN3O2 MolecularWeight: 421.507123

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=C(C=C1)C2=CC3=C(C=C2)C(=O)N(CC3)C4CCN(C4)C5CCC5)F

Isomeric SMILES

CNC(=O)C1=CC(=C(C=C1)C2=CC3=C(C=C2)C(=O)N(CC3)[C@H]4CCN(C4)C5CCC5)F

InChI

InChI=1S/C25H28FN3O2/c1-27-24(30)18-6-7-21(23(26)14-18)16-5-8-22-17(13-16)9-12-29(25(22)31)20-10-11-28(15-20)19-3-2-4-19/h5-8,13-14,19-20H,2-4,9-12,15H2,1H3,(H,27,30)/t20-/m0/s1