4-methyl-5-[(2-methyl-1,4-diazepan-1-yl)sulfonyl]-2H-isoquinolin-1-one hydrochloride

Systemtic Name: 4-methyl-5-[(2-methyl-1,4-diazepan-1-yl)sulfonyl]-2H-isoquinolin-1-one hydrochloride Openeye Name: 4-methyl-5-[(2-methyl-1,4-diazepan-1-yl)sulfonyl]-2H-isoquinolin-1-one hydrochloride CAS Name: 4-methyl-5-[(2-methyl-1,4-diazepan-1-yl)sulfonyl]-2H-isoquinolin-1-one hydrochloride IUPAC Name: 4-methyl-5-[(2-methyl-1,4-diazepan-1-yl)sulfonyl]-2H-isoquinolin-1-one hydrochloride Traditional Name: 4-methyl-5-[(2-methyl-1,4-diazepan-1-yl)sulfonyl]isocarbostyril hydrochloride Formula: C16H22ClN3O3S MolecularWeight: 371.88218

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CNC3=O)C.Cl

Isomeric SMILES

CC1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CNC3=O)C.Cl

InChI

InChI=1S/C16H21N3O3S.ClH/c1-11-9-18-16(20)13-5-3-6-14(15(11)13)23(21,22)19-8-4-7-17-10-12(19)2;/h3,5-6,9,12,17H,4,7-8,10H2,1-2H3,(H,18,20);1H