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

Systemtic Name: 4-[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl]-N-cyclopropyl-3-fluoranyl-benzamide Openeye Name: 4-[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-N-cyclopropyl-3-fluoro-benzamide CAS Name: 4-[2-[(3S)-1-cyclobutyl-3-pyrrolidinyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-N-cyclopropyl-3-fluorobenzamide IUPAC Name: 4-[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-N-cyclopropyl-3-fluorobenzamide Traditional Name: 4-[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-keto-3,4-dihydroisoquinolin-6-yl]-N-cyclopropyl-3-fluoro-benzamide 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)NC6CC6)F

Isomeric SMILES

C1CC(C1)N2CC[C@@H](C2)N3CCC4=C(C3=O)C=CC(=C4)C5=C(C=C(C=C5)C(=O)NC6CC6)F

InChI

InChI=1S/C27H30FN3O2/c28-25-15-19(26(32)29-20-6-7-20)5-8-23(25)17-4-9-24-18(14-17)10-13-31(27(24)33)22-11-12-30(16-22)21-2-1-3-21/h4-5,8-9,14-15,20-22H,1-3,6-7,10-13,16H2,(H,29,32)/t22-/m0/s1