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

Systemtic Name: 4-[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl]-3-fluoranyl-N-propan-2-yl-benzamide Openeye Name: 4-[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-3-fluoro-N-isopropyl-benzamide CAS Name: 4-[2-[(3S)-1-cyclobutyl-3-pyrrolidinyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-3-fluoro-N-propan-2-ylbenzamide IUPAC Name: 4-[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-3-fluoro-N-propan-2-ylbenzamide Traditional Name: 4-[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-keto-3,4-dihydroisoquinolin-6-yl]-3-fluoro-N-isopropyl-benzamide Formula: C27H32FN3O2 MolecularWeight: 449.560283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32FN3O2/c1-17(2)29-26(32)20-7-8-23(25(28)15-20)18-6-9-24-19(14-18)10-13-31(27(24)33)22-11-12-30(16-22)21-4-3-5-21/h6-9,14-15,17,21-22H,3-5,10-13,16H2,1-2H3,(H,29,32)/t22-/m0/s1