2-(cyclopropylmethyl)-4-fluoranyl-5-[[(3S)-3-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinolin-1-one

Systemtic Name: 2-(cyclopropylmethyl)-4-fluoranyl-5-[[(3S)-3-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinolin-1-one Openeye Name: 2-(cyclopropylmethyl)-4-fluoro-5-[[(3S)-3-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinolin-1-one CAS Name: 2-(cyclopropylmethyl)-4-fluoro-5-[[(3S)-3-methyl-1,4-diazepan-1-yl]sulfonyl]-1-isoquinolinone IUPAC Name: 2-(cyclopropylmethyl)-4-fluoro-5-[[(3S)-3-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinolin-1-one Traditional Name: 2-(cyclopropylmethyl)-4-fluoro-5-[[(3S)-3-methyl-1,4-diazepan-1-yl]sulfonyl]isocarbostyril Formula: C19H24FN3O3S MolecularWeight: 393.475563

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCCN1)S(=O)(=O)C2=CC=CC3=C2C(=CN(C3=O)CC4CC4)F

Isomeric SMILES

C[C@H]1CN(CCCN1)S(=O)(=O)C2=CC=CC3=C2C(=CN(C3=O)CC4CC4)F

InChI

InChI=1S/C19H24FN3O3S/c1-13-10-23(9-3-8-21-13)27(25,26)17-5-2-4-15-18(17)16(20)12-22(19(15)24)11-14-6-7-14/h2,4-5,12-14,21H,3,6-11H2,1H3/t13-/m0/s1