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

Systemtic Name: 4-methyl-5-[(2-methyl-1,4-diazepin-1-yl)sulfonyl]-2H-isoquinolin-1-one hydrochloride Openeye Name: 4-methyl-5-[(2-methyl-1,4-diazepin-1-yl)sulfonyl]-2H-isoquinolin-1-one hydrochloride CAS Name: 4-methyl-5-[(2-methyl-1,4-diazepin-1-yl)sulfonyl]-2H-isoquinolin-1-one hydrochloride IUPAC Name: 4-methyl-5-[(2-methyl-1,4-diazepin-1-yl)sulfonyl]-2H-isoquinolin-1-one hydrochloride Traditional Name: 4-methyl-5-[(2-methyl-1,4-diazepin-1-yl)sulfonyl]isocarbostyril hydrochloride Formula: C16H16ClN3O3S MolecularWeight: 365.83454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=O)C2=C1C(=CC=C2)S(=O)(=O)N3C=CC=NC=C3C.Cl

Isomeric SMILES

CC1=CNC(=O)C2=C1C(=CC=C2)S(=O)(=O)N3C=CC=NC=C3C.Cl

InChI

InChI=1S/C16H15N3O3S.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;/h3-10H,1-2H3,(H,18,20);1H