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

Systemtic Name: 4-methyl-5-[(5-methyl-1,4-diazepan-1-yl)sulfonyl]-2-(phenylmethyl)isoquinolin-1-one hydrochloride Openeye Name: 2-benzyl-4-methyl-5-[(5-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinolin-1-one hydrochloride CAS Name: 4-methyl-5-[(5-methyl-1,4-diazepan-1-yl)sulfonyl]-2-(phenylmethyl)-1-isoquinolinone hydrochloride IUPAC Name: 2-benzyl-4-methyl-5-[(5-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinolin-1-one hydrochloride Traditional Name: 2-benzyl-4-methyl-5-[(5-methyl-1,4-diazepan-1-yl)sulfonyl]isocarbostyril hydrochloride Formula: C23H28ClN3O3S MolecularWeight: 462.00472

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CCN1)S(=O)(=O)C2=CC=CC3=C2C(=CN(C3=O)CC4=CC=CC=C4)C.Cl

Isomeric SMILES

CC1CCN(CCN1)S(=O)(=O)C2=CC=CC3=C2C(=CN(C3=O)CC4=CC=CC=C4)C.Cl

InChI

InChI=1S/C23H27N3O3S.ClH/c1-17-15-25(16-19-7-4-3-5-8-19)23(27)20-9-6-10-21(22(17)20)30(28,29)26-13-11-18(2)24-12-14-26;/h3-10,15,18,24H,11-14,16H2,1-2H3;1H