5-(1,4-diazepan-1-ylsulfonyl)-2-(phenylmethyl)isoquinolin-1-one hydrochloride

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-2-(phenylmethyl)isoquinolin-1-one hydrochloride Openeye Name: 2-benzyl-5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-one hydrochloride CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-2-(phenylmethyl)-1-isoquinolinone hydrochloride IUPAC Name: 2-benzyl-5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-one hydrochloride Traditional Name: 2-benzyl-5-(1,4-diazepan-1-ylsulfonyl)isocarbostyril hydrochloride Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S.ClH/c25-21-19-8-4-9-20(28(26,27)24-13-5-11-22-12-15-24)18(19)10-14-23(21)16-17-6-2-1-3-7-17;/h1-4,6-10,14,22H,5,11-13,15-16H2;1H