4-fluoranyl-5-[[(2R)-2-methyl-1,4-diazepan-1-yl]sulfonyl]-2-[(4-propan-2-ylphenyl)methyl]isoquinolin-1-one

Systemtic Name: 4-fluoranyl-5-[[(2R)-2-methyl-1,4-diazepan-1-yl]sulfonyl]-2-[(4-propan-2-ylphenyl)methyl]isoquinolin-1-one Openeye Name: 4-fluoro-2-[(4-isopropylphenyl)methyl]-5-[[(2R)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinolin-1-one CAS Name: 4-fluoro-5-[[(2R)-2-methyl-1,4-diazepan-1-yl]sulfonyl]-2-[(4-propan-2-ylphenyl)methyl]-1-isoquinolinone IUPAC Name: 4-fluoro-5-[[(2R)-2-methyl-1,4-diazepan-1-yl]sulfonyl]-2-[(4-propan-2-ylphenyl)methyl]isoquinolin-1-one Traditional Name: 4-fluoro-2-(4-isopropylbenzyl)-5-[[(2R)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isocarbostyril Formula: C25H30FN3O3S MolecularWeight: 471.587403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30FN3O3S/c1-17(2)20-10-8-19(9-11-20)15-28-16-22(26)24-21(25(28)30)6-4-7-23(24)33(31,32)29-13-5-12-27-14-18(29)3/h4,6-11,16-18,27H,5,12-15H2,1-3H3/t18-/m1/s1