5-(1,4-diazepan-1-ylsulfonyl)-2-[(4-fluorophenyl)methyl]isoquinolin-1-one hydrochloride

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-2-[(4-fluorophenyl)methyl]isoquinolin-1-one hydrochloride Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-2-[(4-fluorophenyl)methyl]isoquinolin-1-one hydrochloride CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-2-[(4-fluorophenyl)methyl]-1-isoquinolinone hydrochloride IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-2-[(4-fluorophenyl)methyl]isoquinolin-1-one hydrochloride Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)-2-(4-fluorobenzyl)isocarbostyril hydrochloride Formula: C21H23ClFN3O3S MolecularWeight: 451.942023

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN(C3=O)CC4=CC=C(C=C4)F.Cl

Isomeric SMILES

C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN(C3=O)CC4=CC=C(C=C4)F.Cl

InChI

InChI=1S/C21H22FN3O3S.ClH/c22-17-7-5-16(6-8-17)15-24-13-9-18-19(21(24)26)3-1-4-20(18)29(27,28)25-12-2-10-23-11-14-25;/h1,3-9,13,23H,2,10-12,14-15H2;1H