6-[4-(azetidin-1-ylcarbonyl)-2-fluoranyl-phenyl]-2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6-[4-(azetidin-1-ylcarbonyl)-2-fluoranyl-phenyl]-2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-3,4-dihydroisoquinolin-1-one Openeye Name: 6-[4-(azetidine-1-carbonyl)-2-fluoro-phenyl]-2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-3,4-dihydroisoquinolin-1-one CAS Name: 6-[4-[1-azetidinyl(oxo)methyl]-2-fluorophenyl]-2-[(3S)-1-cyclobutyl-3-pyrrolidinyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6-[4-(azetidine-1-carbonyl)-2-fluorophenyl]-2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6-[4-(azetidine-1-carbonyl)-2-fluoro-phenyl]-2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-3,4-dihydroisocarbostyril Formula: C27H30FN3O2 MolecularWeight: 447.544403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2CCC(C2)N3CCC4=C(C3=O)C=CC(=C4)C5=C(C=C(C=C5)C(=O)N6CCC6)F

Isomeric SMILES

C1CC(C1)N2CC[C@@H](C2)N3CCC4=C(C3=O)C=CC(=C4)C5=C(C=C(C=C5)C(=O)N6CCC6)F

InChI

InChI=1S/C27H30FN3O2/c28-25-16-20(26(32)29-11-2-12-29)6-7-23(25)18-5-8-24-19(15-18)9-14-31(27(24)33)22-10-13-30(17-22)21-3-1-4-21/h5-8,15-16,21-22H,1-4,9-14,17H2/t22-/m0/s1