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

Systemtic Name: 4-[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl]-3-fluoranyl-N-(2-methoxyethyl)benzamide Openeye Name: 4-[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-3-fluoro-N-(2-methoxyethyl)benzamide CAS Name: 4-[2-[(3S)-1-cyclobutyl-3-pyrrolidinyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-3-fluoro-N-(2-methoxyethyl)benzamide IUPAC Name: 4-[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-3-fluoro-N-(2-methoxyethyl)benzamide Traditional Name: 4-[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-keto-3,4-dihydroisoquinolin-6-yl]-3-fluoro-N-(2-methoxyethyl)benzamide Formula: C27H32FN3O3 MolecularWeight: 465.559683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32FN3O3/c1-34-14-11-29-26(32)20-6-7-23(25(28)16-20)18-5-8-24-19(15-18)9-13-31(27(24)33)22-10-12-30(17-22)21-3-2-4-21/h5-8,15-16,21-22H,2-4,9-14,17H2,1H3,(H,29,32)/t22-/m0/s1