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

Systemtic Name: 2-(cyclopropylmethyl)-5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinolin-1-one hydrochloride Openeye Name: 2-(cyclopropylmethyl)-5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinolin-1-one hydrochloride CAS Name: 2-(cyclopropylmethyl)-5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-1-isoquinolinone hydrochloride IUPAC Name: 2-(cyclopropylmethyl)-5-(1,4-diazepan-1-ylsulfonyl)-4-methylisoquinolin-1-one hydrochloride Traditional Name: 2-(cyclopropylmethyl)-5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isocarbostyril hydrochloride Formula: C19H26ClN3O3S MolecularWeight: 411.94604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)C2=C1C(=CC=C2)S(=O)(=O)N3CCCNCC3)CC4CC4.Cl

Isomeric SMILES

CC1=CN(C(=O)C2=C1C(=CC=C2)S(=O)(=O)N3CCCNCC3)CC4CC4.Cl

InChI

InChI=1S/C19H25N3O3S.ClH/c1-14-12-21(13-15-6-7-15)19(23)16-4-2-5-17(18(14)16)26(24,25)22-10-3-8-20-9-11-22;/h2,4-5,12,15,20H,3,6-11,13H2,1H3;1H