4-fluoranyl-5-[[(2R)-2-methyl-1,4-diazepan-1-yl]sulfonyl]-2-(pyridin-3-ylmethyl)isoquinolin-1-one

Systemtic Name: 4-fluoranyl-5-[[(2R)-2-methyl-1,4-diazepan-1-yl]sulfonyl]-2-(pyridin-3-ylmethyl)isoquinolin-1-one Openeye Name: 4-fluoro-5-[[(2R)-2-methyl-1,4-diazepan-1-yl]sulfonyl]-2-(3-pyridylmethyl)isoquinolin-1-one CAS Name: 4-fluoro-5-[[(2R)-2-methyl-1,4-diazepan-1-yl]sulfonyl]-2-(3-pyridinylmethyl)-1-isoquinolinone IUPAC Name: 4-fluoro-5-[[(2R)-2-methyl-1,4-diazepan-1-yl]sulfonyl]-2-(pyridin-3-ylmethyl)isoquinolin-1-one Traditional Name: 4-fluoro-5-[[(2R)-2-methyl-1,4-diazepan-1-yl]sulfonyl]-2-(3-pyridylmethyl)isocarbostyril Formula: C21H23FN4O3S MolecularWeight: 430.495723

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN(C3=O)CC4=CN=CC=C4)F

Isomeric SMILES

C[C@@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN(C3=O)CC4=CN=CC=C4)F

InChI

InChI=1S/C21H23FN4O3S/c1-15-11-23-9-4-10-26(15)30(28,29)19-7-2-6-17-20(19)18(22)14-25(21(17)27)13-16-5-3-8-24-12-16/h2-3,5-8,12,14-15,23H,4,9-11,13H2,1H3/t15-/m1/s1